Advanced search options

Advanced Search Options 🞨

Browse by author name (“Author name starts with…”).

Find ETDs with:

in
/  
in
/  
in
/  
in

Written in Published in Earliest date Latest date

Sorted by

Results per page:

Sorted by: relevance · author · university · dateNew search

You searched for subject:(Molecular dynamics simulations). Showing records 1 – 30 of 363 total matches.

[1] [2] [3] [4] [5] … [13]

Search Limiters

Last 2 Years | English Only

Degrees

Levels

Languages

Country

▼ Search Limiters


University of Iowa

1. Lay, Wesley K. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.

Degree: PhD, Biochemistry, 2018, University of Iowa

  Computer simulations allow researchers to study the dynamics and interactions of biological molecules in ways that cannot be currently achieved in experiments. In this… (more)

Subjects/Keywords: Computer Simulations; Molecular Dynamics; Biochemistry

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Lay, W. K. (2018). Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. (Doctoral Dissertation). University of Iowa. Retrieved from https://ir.uiowa.edu/etd/6603

Chicago Manual of Style (16th Edition):

Lay, Wesley K. “Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.” 2018. Doctoral Dissertation, University of Iowa. Accessed March 06, 2021. https://ir.uiowa.edu/etd/6603.

MLA Handbook (7th Edition):

Lay, Wesley K. “Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level.” 2018. Web. 06 Mar 2021.

Vancouver:

Lay WK. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. [Internet] [Doctoral dissertation]. University of Iowa; 2018. [cited 2021 Mar 06]. Available from: https://ir.uiowa.edu/etd/6603.

Council of Science Editors:

Lay WK. Optimizing computer simulation models for carbohydrates and proteins at the atomistic and coarse-grained level. [Doctoral Dissertation]. University of Iowa; 2018. Available from: https://ir.uiowa.edu/etd/6603


University of Illinois – Chicago

2. Sharma, Priyanka O. Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane.

Degree: 2016, University of Illinois – Chicago

Molecular dynamics simulations are particularly useful in providing details that permit understanding of phenomena occurring at surfaces, phenomena characterized by surface-sensitive experimental methods yielding average… (more)

Subjects/Keywords: Drug delivery; molecular dynamics simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Sharma, P. O. (2016). Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane. (Thesis). University of Illinois – Chicago. Retrieved from http://hdl.handle.net/10027/21524

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Sharma, Priyanka O. “Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane.” 2016. Thesis, University of Illinois – Chicago. Accessed March 06, 2021. http://hdl.handle.net/10027/21524.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Sharma, Priyanka O. “Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane.” 2016. Web. 06 Mar 2021.

Vancouver:

Sharma PO. Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane. [Internet] [Thesis]. University of Illinois – Chicago; 2016. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/10027/21524.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Sharma PO. Simulated Permeation of Nanoparticles with Size, Shape, and Functional Diversity Through a Model Membrane. [Thesis]. University of Illinois – Chicago; 2016. Available from: http://hdl.handle.net/10027/21524

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Laurentian University

3. Mangiardi, Chris. Moleclar-dynamics simulations using spatial decomposition and task-based parallelism .

Degree: 2016, Laurentian University

Molecular Dynamics (MD) simulations are an integral method in the computational studies of materials. This thesis discusses an algorithm for large-scale MD simulations using modern… (more)

Subjects/Keywords: Molecular Dynamics (MD); simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Mangiardi, C. (2016). Moleclar-dynamics simulations using spatial decomposition and task-based parallelism . (Thesis). Laurentian University. Retrieved from https://zone.biblio.laurentian.ca/handle/10219/2618

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Mangiardi, Chris. “Moleclar-dynamics simulations using spatial decomposition and task-based parallelism .” 2016. Thesis, Laurentian University. Accessed March 06, 2021. https://zone.biblio.laurentian.ca/handle/10219/2618.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Mangiardi, Chris. “Moleclar-dynamics simulations using spatial decomposition and task-based parallelism .” 2016. Web. 06 Mar 2021.

Vancouver:

Mangiardi C. Moleclar-dynamics simulations using spatial decomposition and task-based parallelism . [Internet] [Thesis]. Laurentian University; 2016. [cited 2021 Mar 06]. Available from: https://zone.biblio.laurentian.ca/handle/10219/2618.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mangiardi C. Moleclar-dynamics simulations using spatial decomposition and task-based parallelism . [Thesis]. Laurentian University; 2016. Available from: https://zone.biblio.laurentian.ca/handle/10219/2618

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Cornell University

4. Ackerman, David. Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides.

Degree: PhD, Biophysics, 2015, Cornell University

 The cell plasma membrane is comprised of hundreds of different lipid species as well as a variety of integral and peripheral proteins. The diversity of… (more)

Subjects/Keywords: molecular dynamics simulations; lipid bilayer; phase behavior

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Ackerman, D. (2015). Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/40908

Chicago Manual of Style (16th Edition):

Ackerman, David. “Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides.” 2015. Doctoral Dissertation, Cornell University. Accessed March 06, 2021. http://hdl.handle.net/1813/40908.

MLA Handbook (7th Edition):

Ackerman, David. “Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides.” 2015. Web. 06 Mar 2021.

Vancouver:

Ackerman D. Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides. [Internet] [Doctoral dissertation]. Cornell University; 2015. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1813/40908.

Council of Science Editors:

Ackerman D. Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides. [Doctoral Dissertation]. Cornell University; 2015. Available from: http://hdl.handle.net/1813/40908


Syracuse University

5. Okoroafor, Kelechi. MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION.

Degree: PhD, Biomedical and Chemical Engineering, 2018, Syracuse University

  Micellar structures have been proposed for potential application in hydrotropy, biomimetics, dispersion and emulsification, enhanced oil recovery, detergency, templating, drug delivery, personal care products,… (more)

Subjects/Keywords: micelle; molecular dynamics (MD) simulations; rheology; Engineering

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Okoroafor, K. (2018). MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION. (Doctoral Dissertation). Syracuse University. Retrieved from https://surface.syr.edu/etd/929

Chicago Manual of Style (16th Edition):

Okoroafor, Kelechi. “MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION.” 2018. Doctoral Dissertation, Syracuse University. Accessed March 06, 2021. https://surface.syr.edu/etd/929.

MLA Handbook (7th Edition):

Okoroafor, Kelechi. “MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION.” 2018. Web. 06 Mar 2021.

Vancouver:

Okoroafor K. MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION. [Internet] [Doctoral dissertation]. Syracuse University; 2018. [cited 2021 Mar 06]. Available from: https://surface.syr.edu/etd/929.

Council of Science Editors:

Okoroafor K. MOLECULAR DYNAMICS STUDY ON THE STRUCTURE, DYNAMICS AND STRESS RESPONSE OF DILUTE MICELLAR SYSTEMS IN UNIAXIAL EXTENSIONAL DEFORMATION. [Doctoral Dissertation]. Syracuse University; 2018. Available from: https://surface.syr.edu/etd/929


Wesleyan University

6. Storey, Amber Nicole. Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films.

Degree: Physics, 2019, Wesleyan University

  Polymers are ubiquitous in our everyday lives and have uses in a wide range of industries, from electronics to food goods. Understanding properties of… (more)

Subjects/Keywords: Polymers; Molecular Dynamics simulations; Polymers in confinement

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Storey, A. N. (2019). Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films. (Masters Thesis). Wesleyan University. Retrieved from https://wesscholar.wesleyan.edu/etd_mas_theses/260

Chicago Manual of Style (16th Edition):

Storey, Amber Nicole. “Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films.” 2019. Masters Thesis, Wesleyan University. Accessed March 06, 2021. https://wesscholar.wesleyan.edu/etd_mas_theses/260.

MLA Handbook (7th Edition):

Storey, Amber Nicole. “Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films.” 2019. Web. 06 Mar 2021.

Vancouver:

Storey AN. Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films. [Internet] [Masters thesis]. Wesleyan University; 2019. [cited 2021 Mar 06]. Available from: https://wesscholar.wesleyan.edu/etd_mas_theses/260.

Council of Science Editors:

Storey AN. Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films. [Masters Thesis]. Wesleyan University; 2019. Available from: https://wesscholar.wesleyan.edu/etd_mas_theses/260


University of Manchester

7. Nawaz, Selina. Molecular dynamics simulations of amphiphilic macromolecules at interfaces.

Degree: PhD, 2013, University of Manchester

 The aim of this thesis is to investigate the structural and thermodynamic properties of biologically and technological relevant macromolecules when placed at soft interfaces. In… (more)

Subjects/Keywords: 541; Molecular Dynamics; Simulations; Amphiphilic; Macromolecules; Interfaces

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Nawaz, S. (2013). Molecular dynamics simulations of amphiphilic macromolecules at interfaces. (Doctoral Dissertation). University of Manchester. Retrieved from https://www.research.manchester.ac.uk/portal/en/theses/molecular-dynamics-simulations-of-amphiphilic-macromolecules-at-interfaces(227bd442-2935-40c8-8601-9016d925db3d).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.570305

Chicago Manual of Style (16th Edition):

Nawaz, Selina. “Molecular dynamics simulations of amphiphilic macromolecules at interfaces.” 2013. Doctoral Dissertation, University of Manchester. Accessed March 06, 2021. https://www.research.manchester.ac.uk/portal/en/theses/molecular-dynamics-simulations-of-amphiphilic-macromolecules-at-interfaces(227bd442-2935-40c8-8601-9016d925db3d).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.570305.

MLA Handbook (7th Edition):

Nawaz, Selina. “Molecular dynamics simulations of amphiphilic macromolecules at interfaces.” 2013. Web. 06 Mar 2021.

Vancouver:

Nawaz S. Molecular dynamics simulations of amphiphilic macromolecules at interfaces. [Internet] [Doctoral dissertation]. University of Manchester; 2013. [cited 2021 Mar 06]. Available from: https://www.research.manchester.ac.uk/portal/en/theses/molecular-dynamics-simulations-of-amphiphilic-macromolecules-at-interfaces(227bd442-2935-40c8-8601-9016d925db3d).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.570305.

Council of Science Editors:

Nawaz S. Molecular dynamics simulations of amphiphilic macromolecules at interfaces. [Doctoral Dissertation]. University of Manchester; 2013. Available from: https://www.research.manchester.ac.uk/portal/en/theses/molecular-dynamics-simulations-of-amphiphilic-macromolecules-at-interfaces(227bd442-2935-40c8-8601-9016d925db3d).html ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.570305


University of Southern California

8. Lin, Chih-Ying. Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB.

Degree: PhD, Chemical Engineering, 2014, University of Southern California

 How proteins fold and unfold has been a great focus for decades. Techniques of molecular dynamics simulations provide the atomic insight of protein folding/unfolding. Proteins… (more)

Subjects/Keywords: molecular dynamics; simulations; protein; surfactants; folding; unfolding

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Lin, C. (2014). Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB. (Doctoral Dissertation). University of Southern California. Retrieved from http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll3/id/364713/rec/4186

Chicago Manual of Style (16th Edition):

Lin, Chih-Ying. “Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB.” 2014. Doctoral Dissertation, University of Southern California. Accessed March 06, 2021. http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll3/id/364713/rec/4186.

MLA Handbook (7th Edition):

Lin, Chih-Ying. “Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB.” 2014. Web. 06 Mar 2021.

Vancouver:

Lin C. Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB. [Internet] [Doctoral dissertation]. University of Southern California; 2014. [cited 2021 Mar 06]. Available from: http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll3/id/364713/rec/4186.

Council of Science Editors:

Lin C. Molecular dynamics simulation study of initial protein unfolding induced by the photo-responsive surfactants, azoTAB. [Doctoral Dissertation]. University of Southern California; 2014. Available from: http://digitallibrary.usc.edu/cdm/compoundobject/collection/p15799coll3/id/364713/rec/4186


Clemson University

9. Aryal, Dipak. Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane.

Degree: PhD, Chemistry, 2017, Clemson University

 Impact of ionizable blocks on structure and dynamics of structured ionic co-polymers in solutions, melts, and thin films has been studied using atomistic molecular dynamics(more)

Subjects/Keywords: Ionic Block Copolymer; Molecular Dynamics Simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Aryal, D. (2017). Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane. (Doctoral Dissertation). Clemson University. Retrieved from https://tigerprints.clemson.edu/all_dissertations/1984

Chicago Manual of Style (16th Edition):

Aryal, Dipak. “Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane.” 2017. Doctoral Dissertation, Clemson University. Accessed March 06, 2021. https://tigerprints.clemson.edu/all_dissertations/1984.

MLA Handbook (7th Edition):

Aryal, Dipak. “Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane.” 2017. Web. 06 Mar 2021.

Vancouver:

Aryal D. Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane. [Internet] [Doctoral dissertation]. Clemson University; 2017. [cited 2021 Mar 06]. Available from: https://tigerprints.clemson.edu/all_dissertations/1984.

Council of Science Editors:

Aryal D. Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane. [Doctoral Dissertation]. Clemson University; 2017. Available from: https://tigerprints.clemson.edu/all_dissertations/1984


University of Edinburgh

10. Naithani, Ankita. Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway.

Degree: PhD, 2015, University of Edinburgh

 There is a growing body of interest to understand the regulation of allosteric proteins. Allostery is a phenomenon of protein regulation whereby binding of an… (more)

Subjects/Keywords: 572; allostery; molecular dynamics simulations; pyruvate kinase

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Naithani, A. (2015). Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/16201

Chicago Manual of Style (16th Edition):

Naithani, Ankita. “Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway.” 2015. Doctoral Dissertation, University of Edinburgh. Accessed March 06, 2021. http://hdl.handle.net/1842/16201.

MLA Handbook (7th Edition):

Naithani, Ankita. “Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway.” 2015. Web. 06 Mar 2021.

Vancouver:

Naithani A. Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway. [Internet] [Doctoral dissertation]. University of Edinburgh; 2015. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1842/16201.

Council of Science Editors:

Naithani A. Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway. [Doctoral Dissertation]. University of Edinburgh; 2015. Available from: http://hdl.handle.net/1842/16201


University of North Texas

11. Hilbig, Travis. Scratch Modeling of Polymeric Materials with Molecular Dynamics.

Degree: 2012, University of North Texas

 It is impossible to determine the amount of money that is spent every replacing products damaged from wear, but it is safe to assume that… (more)

Subjects/Keywords: Molecular dynamics; computer simulations; polymer; scratch

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Hilbig, T. (2012). Scratch Modeling of Polymeric Materials with Molecular Dynamics. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc149608/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Hilbig, Travis. “Scratch Modeling of Polymeric Materials with Molecular Dynamics.” 2012. Thesis, University of North Texas. Accessed March 06, 2021. https://digital.library.unt.edu/ark:/67531/metadc149608/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Hilbig, Travis. “Scratch Modeling of Polymeric Materials with Molecular Dynamics.” 2012. Web. 06 Mar 2021.

Vancouver:

Hilbig T. Scratch Modeling of Polymeric Materials with Molecular Dynamics. [Internet] [Thesis]. University of North Texas; 2012. [cited 2021 Mar 06]. Available from: https://digital.library.unt.edu/ark:/67531/metadc149608/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Hilbig T. Scratch Modeling of Polymeric Materials with Molecular Dynamics. [Thesis]. University of North Texas; 2012. Available from: https://digital.library.unt.edu/ark:/67531/metadc149608/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Texas A&M University

12. Kim, Doyong. Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations.

Degree: PhD, Chemistry, 2016, Texas A&M University

 Electrospray ionization ion mobility mass spectrometry (ESI-IM-MS) has emerged in recent years as a tool to separate heterogeneous conformer populations and determine ion-neutral collision cross… (more)

Subjects/Keywords: Mass Spectrometry; Ion Mobility; Molecular Dynamics Simulations; Simulated Annealing Molecular Dynamics Simulations; Desolvation; MDS

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Kim, D. (2016). Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations. (Doctoral Dissertation). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/158098

Chicago Manual of Style (16th Edition):

Kim, Doyong. “Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations.” 2016. Doctoral Dissertation, Texas A&M University. Accessed March 06, 2021. http://hdl.handle.net/1969.1/158098.

MLA Handbook (7th Edition):

Kim, Doyong. “Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations.” 2016. Web. 06 Mar 2021.

Vancouver:

Kim D. Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations. [Internet] [Doctoral dissertation]. Texas A&M University; 2016. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1969.1/158098.

Council of Science Editors:

Kim D. Monitorying the Desolvaiton of Ions and Create Candidate Structure for the Ions Detected by Ion Mobility-Mass Spectrometry Study by Molecular Dynamics Simulations. [Doctoral Dissertation]. Texas A&M University; 2016. Available from: http://hdl.handle.net/1969.1/158098


NSYSU

13. Huang, Yu-Ren. A Computational Study of Graphene Composites.

Degree: PhD, Chemistry, 2017, NSYSU

 In this dissertation, we studied thermal conduction and electron transfer of graphene-related compounds mixed with polymer systems by molecular dynamics simulations. This work can be… (more)

Subjects/Keywords: Electron transport; Thermal dynamics; wrinkles; Molecular dynamics simulations; Graphene-oxide

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Huang, Y. (2017). A Computational Study of Graphene Composites. (Doctoral Dissertation). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-1121117-100922

Chicago Manual of Style (16th Edition):

Huang, Yu-Ren. “A Computational Study of Graphene Composites.” 2017. Doctoral Dissertation, NSYSU. Accessed March 06, 2021. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-1121117-100922.

MLA Handbook (7th Edition):

Huang, Yu-Ren. “A Computational Study of Graphene Composites.” 2017. Web. 06 Mar 2021.

Vancouver:

Huang Y. A Computational Study of Graphene Composites. [Internet] [Doctoral dissertation]. NSYSU; 2017. [cited 2021 Mar 06]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-1121117-100922.

Council of Science Editors:

Huang Y. A Computational Study of Graphene Composites. [Doctoral Dissertation]. NSYSU; 2017. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-1121117-100922

14. Ding, Minxia. Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse.

Degree: Docteur es, Chimie, 2015, Rennes 1

L'osmose inverse (OI) est actuellement le procédé le plus utilisé mondialement pour le dessalement des eaux saumâtres et de l’eau de mer. Cette thèse s'est… (more)

Subjects/Keywords: Simulations; Dynamique moléculaire; Membranes d'osmose inverse; Polyamide; Simulations; Molecular dynamics; Reverse osmosis membranes; Polyamide

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Ding, M. (2015). Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse. (Doctoral Dissertation). Rennes 1. Retrieved from http://www.theses.fr/2015REN1S058

Chicago Manual of Style (16th Edition):

Ding, Minxia. “Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse.” 2015. Doctoral Dissertation, Rennes 1. Accessed March 06, 2021. http://www.theses.fr/2015REN1S058.

MLA Handbook (7th Edition):

Ding, Minxia. “Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse.” 2015. Web. 06 Mar 2021.

Vancouver:

Ding M. Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse. [Internet] [Doctoral dissertation]. Rennes 1; 2015. [cited 2021 Mar 06]. Available from: http://www.theses.fr/2015REN1S058.

Council of Science Editors:

Ding M. Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse. [Doctoral Dissertation]. Rennes 1; 2015. Available from: http://www.theses.fr/2015REN1S058


University of Edinburgh

15. Patrick, Lisa. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.

Degree: PhD, 2020, University of Edinburgh

 Allosteric signalling was first discovered over 50 years ago, yet the underlying molecular determinants are not yet completely understood. The ability to predict the activity… (more)

Subjects/Keywords: protein simulations; allostery; Molecular Dynamics simulations; MD simulation; Mutual Information; Kullback-Leibler divergence

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Patrick, L. (2020). Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. (Doctoral Dissertation). University of Edinburgh. Retrieved from http://hdl.handle.net/1842/37111

Chicago Manual of Style (16th Edition):

Patrick, Lisa. “Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.” 2020. Doctoral Dissertation, University of Edinburgh. Accessed March 06, 2021. http://hdl.handle.net/1842/37111.

MLA Handbook (7th Edition):

Patrick, Lisa. “Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.” 2020. Web. 06 Mar 2021.

Vancouver:

Patrick L. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. [Internet] [Doctoral dissertation]. University of Edinburgh; 2020. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1842/37111.

Council of Science Editors:

Patrick L. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. [Doctoral Dissertation]. University of Edinburgh; 2020. Available from: http://hdl.handle.net/1842/37111


University of Edinburgh

16. Patrick, Lisa. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.

Degree: PhD, 2020, University of Edinburgh

 Allosteric signalling was first discovered over 50 years ago, yet the underlying molecular determinants are not yet completely understood. The ability to predict the activity… (more)

Subjects/Keywords: protein simulations; allostery; Molecular Dynamics simulations; MD simulation; Mutual Information; Kullback-Leibler divergence

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Patrick, L. (2020). Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. (Doctoral Dissertation). University of Edinburgh. Retrieved from https://doi.org/10.7488/era/412 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.806132

Chicago Manual of Style (16th Edition):

Patrick, Lisa. “Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.” 2020. Doctoral Dissertation, University of Edinburgh. Accessed March 06, 2021. https://doi.org/10.7488/era/412 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.806132.

MLA Handbook (7th Edition):

Patrick, Lisa. “Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation.” 2020. Web. 06 Mar 2021.

Vancouver:

Patrick L. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. [Internet] [Doctoral dissertation]. University of Edinburgh; 2020. [cited 2021 Mar 06]. Available from: https://doi.org/10.7488/era/412 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.806132.

Council of Science Editors:

Patrick L. Development of an information theory based computational framework for the analysis of molecular dynamics simulations of proteins under allosteric regulation. [Doctoral Dissertation]. University of Edinburgh; 2020. Available from: https://doi.org/10.7488/era/412 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.806132

17. Marín Aguilar, Susana. Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée.

Degree: Docteur es, Physique, 2020, université Paris-Saclay

Le rôle de la structure dans la dynamique colloïdale vitreuse est encore un sujet de débat. Cependant, il existe des preuves d'un lien direct entre… (more)

Subjects/Keywords: Dynamique vitreuse; Particules à patchs; Simulations moléculaires; Colloïdes; Glassy dynamics; Patchy particles; Molecular simulations; Colloids

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Marín Aguilar, S. (2020). Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée. (Doctoral Dissertation). université Paris-Saclay. Retrieved from http://www.theses.fr/2020UPASP052

Chicago Manual of Style (16th Edition):

Marín Aguilar, Susana. “Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée.” 2020. Doctoral Dissertation, université Paris-Saclay. Accessed March 06, 2021. http://www.theses.fr/2020UPASP052.

MLA Handbook (7th Edition):

Marín Aguilar, Susana. “Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée.” 2020. Web. 06 Mar 2021.

Vancouver:

Marín Aguilar S. Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée. [Internet] [Doctoral dissertation]. université Paris-Saclay; 2020. [cited 2021 Mar 06]. Available from: http://www.theses.fr/2020UPASP052.

Council of Science Editors:

Marín Aguilar S. Local structure and dynamics of dense colloidal systems : from patchy particles to hard spheres : Structure locale et dynamique des systèmes colloïdaux à densité élevée. [Doctoral Dissertation]. université Paris-Saclay; 2020. Available from: http://www.theses.fr/2020UPASP052


University of Rochester

18. Li, Zhi. Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment.

Degree: PhD, 2019, University of Rochester

 This thesis focuses on advancing the theory and simulation needed to atomistically understand molecular junction experiments where a single molecule acts as a bridge between… (more)

Subjects/Keywords: Molecular electronics; Molecular junctions; Molecular dynamics; Metal-molecule interactions; Electronic transport; Break junction simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Li, Z. (2019). Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment. (Doctoral Dissertation). University of Rochester. Retrieved from http://hdl.handle.net/1802/35235

Chicago Manual of Style (16th Edition):

Li, Zhi. “Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment.” 2019. Doctoral Dissertation, University of Rochester. Accessed March 06, 2021. http://hdl.handle.net/1802/35235.

MLA Handbook (7th Edition):

Li, Zhi. “Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment.” 2019. Web. 06 Mar 2021.

Vancouver:

Li Z. Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment. [Internet] [Doctoral dissertation]. University of Rochester; 2019. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1802/35235.

Council of Science Editors:

Li Z. Frontiers in the atomistic modeling of molecular junctions: bringing theory closer to experiment. [Doctoral Dissertation]. University of Rochester; 2019. Available from: http://hdl.handle.net/1802/35235


Indian Institute of Science

19. Katagi, Gurunath M. Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments.

Degree: MSc Engg, Faculty of Engineering, 2018, Indian Institute of Science

 The selection of the forcefield is a crucial issue in any MD related work and there is no clear indication as to which of the… (more)

Subjects/Keywords: Protein Structures; Protein Dynamics; Protein Functions; Proteins - Analysis; Proteins - Molecular Dynamics Simulations; Protein Flexibility; Protein Simulation Trajectories; Forcefields - Protein Analysis; Protein Structure - Computation; Molecular Dynamics Simulations; MD Simulations; Biochemistry

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Katagi, G. M. (2018). Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments. (Masters Thesis). Indian Institute of Science. Retrieved from http://etd.iisc.ac.in/handle/2005/3327

Chicago Manual of Style (16th Edition):

Katagi, Gurunath M. “Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments.” 2018. Masters Thesis, Indian Institute of Science. Accessed March 06, 2021. http://etd.iisc.ac.in/handle/2005/3327.

MLA Handbook (7th Edition):

Katagi, Gurunath M. “Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments.” 2018. Web. 06 Mar 2021.

Vancouver:

Katagi GM. Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments. [Internet] [Masters thesis]. Indian Institute of Science; 2018. [cited 2021 Mar 06]. Available from: http://etd.iisc.ac.in/handle/2005/3327.

Council of Science Editors:

Katagi GM. Analysis of Molecular Dynamics Trajectories of Proteins Performed using Different Forcefields and Identifiction of Mobile Segments. [Masters Thesis]. Indian Institute of Science; 2018. Available from: http://etd.iisc.ac.in/handle/2005/3327


NSYSU

20. Chang, Shao-Heng. Modeling of nano-particle motion: subjected to press of two moving bodies.

Degree: PhD, Mechanical and Electro-Mechanical Engineering, 2012, NSYSU

 This dissertation aims to establish a mathematical model to predict the steady-state (stationary) motion of a nano-particle that is suppressed between two parallel moving objects.… (more)

Subjects/Keywords: adhesive strength; steady-state motion; molecular dynamics simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Chang, S. (2012). Modeling of nano-particle motion: subjected to press of two moving bodies. (Doctoral Dissertation). NSYSU. Retrieved from http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0905112-112610

Chicago Manual of Style (16th Edition):

Chang, Shao-Heng. “Modeling of nano-particle motion: subjected to press of two moving bodies.” 2012. Doctoral Dissertation, NSYSU. Accessed March 06, 2021. http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0905112-112610.

MLA Handbook (7th Edition):

Chang, Shao-Heng. “Modeling of nano-particle motion: subjected to press of two moving bodies.” 2012. Web. 06 Mar 2021.

Vancouver:

Chang S. Modeling of nano-particle motion: subjected to press of two moving bodies. [Internet] [Doctoral dissertation]. NSYSU; 2012. [cited 2021 Mar 06]. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0905112-112610.

Council of Science Editors:

Chang S. Modeling of nano-particle motion: subjected to press of two moving bodies. [Doctoral Dissertation]. NSYSU; 2012. Available from: http://etd.lib.nsysu.edu.tw/ETD-db/ETD-search/view_etd?URN=etd-0905112-112610


University of California – Irvine

21. Parry, Krista Monique. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions.

Degree: Chemical and Material Physics, 2017, University of California – Irvine

 Over the past decade, energy-dependent ambient pressure X-ray photoelectron spectroscopy (AP-XPS) has emerged as a powerful analytical probe of the ion spatial distributions at the… (more)

Subjects/Keywords: Chemistry; Molecular Dynamics Simulations; X-ray Photoelectron Spectroscopy

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Parry, K. M. (2017). Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions. (Thesis). University of California – Irvine. Retrieved from http://www.escholarship.org/uc/item/42g2g920

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Parry, Krista Monique. “Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions.” 2017. Thesis, University of California – Irvine. Accessed March 06, 2021. http://www.escholarship.org/uc/item/42g2g920.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Parry, Krista Monique. “Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions.” 2017. Web. 06 Mar 2021.

Vancouver:

Parry KM. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions. [Internet] [Thesis]. University of California – Irvine; 2017. [cited 2021 Mar 06]. Available from: http://www.escholarship.org/uc/item/42g2g920.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Parry KM. Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions. [Thesis]. University of California – Irvine; 2017. Available from: http://www.escholarship.org/uc/item/42g2g920

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Mississippi State University

22. Bowman, Andrew Lee. Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory.

Degree: PhD, Mississippi State University, 2019, Mississippi State University

  A multiscale model using simulated nanoscale damage (free volume) evolution and continuum damage evolution equations (void nucleation, growth, and coalescence) for the amorphous phase… (more)

Subjects/Keywords: voids; polymers; internal state variable theory; damage modeling; molecular dynamics simulations

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Bowman, A. L. (2019). Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory. (Doctoral Dissertation). Mississippi State University. Retrieved from http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212019-113345/ ;

Chicago Manual of Style (16th Edition):

Bowman, Andrew Lee. “Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory.” 2019. Doctoral Dissertation, Mississippi State University. Accessed March 06, 2021. http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212019-113345/ ;.

MLA Handbook (7th Edition):

Bowman, Andrew Lee. “Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory.” 2019. Web. 06 Mar 2021.

Vancouver:

Bowman AL. Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory. [Internet] [Doctoral dissertation]. Mississippi State University; 2019. [cited 2021 Mar 06]. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212019-113345/ ;.

Council of Science Editors:

Bowman AL. Multiscale damage and fracture modeling of polyethylene using molecular dynamics simulations and continuum internal state variable theory. [Doctoral Dissertation]. Mississippi State University; 2019. Available from: http://sun.library.msstate.edu/ETD-db/theses/available/etd-03212019-113345/ ;


University of Minnesota

23. Nikiforov, Ilia A. A study of bending deformations in carbon nanotubes using the objective molecular dynamics method.

Degree: MS, Mechanical Engineering, 2010, University of Minnesota

University of Minnesota M.S. thesis. September 2010. Major: Mechanical Engineering. Advisor: Prof. Traian Dumitrica. 1 computer file (PDF); x, 65 pages, appendix A.

Bending of… (more)

Subjects/Keywords: Nanotoxicology; Nanotubes; Atomistic simulations; Molecular dynamics; Elastic bending; Multi-walled tubes

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Nikiforov, I. A. (2010). A study of bending deformations in carbon nanotubes using the objective molecular dynamics method. (Masters Thesis). University of Minnesota. Retrieved from http://purl.umn.edu/102693

Chicago Manual of Style (16th Edition):

Nikiforov, Ilia A. “A study of bending deformations in carbon nanotubes using the objective molecular dynamics method.” 2010. Masters Thesis, University of Minnesota. Accessed March 06, 2021. http://purl.umn.edu/102693.

MLA Handbook (7th Edition):

Nikiforov, Ilia A. “A study of bending deformations in carbon nanotubes using the objective molecular dynamics method.” 2010. Web. 06 Mar 2021.

Vancouver:

Nikiforov IA. A study of bending deformations in carbon nanotubes using the objective molecular dynamics method. [Internet] [Masters thesis]. University of Minnesota; 2010. [cited 2021 Mar 06]. Available from: http://purl.umn.edu/102693.

Council of Science Editors:

Nikiforov IA. A study of bending deformations in carbon nanotubes using the objective molecular dynamics method. [Masters Thesis]. University of Minnesota; 2010. Available from: http://purl.umn.edu/102693


University of Michigan

24. Ghanakota, Phani. Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design.

Degree: PhD, Medicinal Chemistry, 2015, University of Michigan

 Hotspots are defined as regions on the protein surface that disproportionately contribute to binding free energy. Mixed-solvent molecular dynamics (MixMD) is a hotspot mapping technique… (more)

Subjects/Keywords: Computational Chemistry; Structure Based Drug Design; Molecular Dynamics Simulations; Chemistry; Science

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Ghanakota, P. (2015). Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/113593

Chicago Manual of Style (16th Edition):

Ghanakota, Phani. “Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design.” 2015. Doctoral Dissertation, University of Michigan. Accessed March 06, 2021. http://hdl.handle.net/2027.42/113593.

MLA Handbook (7th Edition):

Ghanakota, Phani. “Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design.” 2015. Web. 06 Mar 2021.

Vancouver:

Ghanakota P. Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design. [Internet] [Doctoral dissertation]. University of Michigan; 2015. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/2027.42/113593.

Council of Science Editors:

Ghanakota P. Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design. [Doctoral Dissertation]. University of Michigan; 2015. Available from: http://hdl.handle.net/2027.42/113593


Cornell University

25. Stolzenberg, Sebastian. Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters.

Degree: PhD, Physics, 2014, Cornell University

 In my thesis work, I investigate functional mechanisms of complex molecular machines in the cell membrane that carry out the transport (reuptake) of neurotransmitter molecules… (more)

Subjects/Keywords: Substrate Transport Mechanism; Molecular Dynamics Simulations; Motion Planning

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Stolzenberg, S. (2014). Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters. (Doctoral Dissertation). Cornell University. Retrieved from http://hdl.handle.net/1813/36182

Chicago Manual of Style (16th Edition):

Stolzenberg, Sebastian. “Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters.” 2014. Doctoral Dissertation, Cornell University. Accessed March 06, 2021. http://hdl.handle.net/1813/36182.

MLA Handbook (7th Edition):

Stolzenberg, Sebastian. “Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters.” 2014. Web. 06 Mar 2021.

Vancouver:

Stolzenberg S. Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters. [Internet] [Doctoral dissertation]. Cornell University; 2014. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1813/36182.

Council of Science Editors:

Stolzenberg S. Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters. [Doctoral Dissertation]. Cornell University; 2014. Available from: http://hdl.handle.net/1813/36182


Texas A&M University

26. Smith, Taylor William. Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries.

Degree: MS, Materials Science and Engineering, 2015, Texas A&M University

 In attempting to develop energy storage systems possessing superior properties to traditional lithium ion batteries (LIBs), numerous alternative chemistries have undergone study and development. Of… (more)

Subjects/Keywords: Batteries; Lithium-Sulfur; Simulations; Polysulfide Shuttle; Battery Anode; Molecular Dynamics

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Smith, T. W. (2015). Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries. (Masters Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/156452

Chicago Manual of Style (16th Edition):

Smith, Taylor William. “Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries.” 2015. Masters Thesis, Texas A&M University. Accessed March 06, 2021. http://hdl.handle.net/1969.1/156452.

MLA Handbook (7th Edition):

Smith, Taylor William. “Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries.” 2015. Web. 06 Mar 2021.

Vancouver:

Smith TW. Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries. [Internet] [Masters thesis]. Texas A&M University; 2015. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/1969.1/156452.

Council of Science Editors:

Smith TW. Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries. [Masters Thesis]. Texas A&M University; 2015. Available from: http://hdl.handle.net/1969.1/156452


Penn State University

27. Hong, Sung Wook. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.

Degree: 2016, Penn State University

 In this dissertation, the ReaxFF potential was employed to investigate the complex surface chemistry of two nano-scale systems, including growth of aluminum oxide (Al2O3) layers… (more)

Subjects/Keywords: ReaxFF; Molecular Dynamics Simulations; Aluminum oxide layer; Aluminum nanoparticles; Ge slab

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Hong, S. W. (2016). ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/ft848q60n

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Hong, Sung Wook. “ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.” 2016. Thesis, Penn State University. Accessed March 06, 2021. https://submit-etda.libraries.psu.edu/catalog/ft848q60n.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Hong, Sung Wook. “ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD.” 2016. Web. 06 Mar 2021.

Vancouver:

Hong SW. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. [Internet] [Thesis]. Penn State University; 2016. [cited 2021 Mar 06]. Available from: https://submit-etda.libraries.psu.edu/catalog/ft848q60n.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Hong SW. ATOMISTIC-SCALE INVESTIGATION OF THE GROWTH KINETICS OF ALUMINUM OXIDE LAYERS ON ALUMINUM NANOPARTICLES AND GERMANIUM-BASED SEMICONDUCTORS USING THE REAXFF REACTIVE FORCE FIELD. [Thesis]. Penn State University; 2016. Available from: https://submit-etda.libraries.psu.edu/catalog/ft848q60n

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Boston University

28. Lascaris, Erik. Liquid-liquid phase transitions and water-like anomalies in liquids.

Degree: PhD, Physics, 2014, Boston University

 In this thesis we employ computer simulations and statistical physics to understand the origin of liquid-liquid phase transitions and their relationship with anomalies typical of… (more)

Subjects/Keywords: Physics; Liquid-liquid critical points; Molecular dynamics simulations; Silica; Water

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Lascaris, E. (2014). Liquid-liquid phase transitions and water-like anomalies in liquids. (Doctoral Dissertation). Boston University. Retrieved from http://hdl.handle.net/2144/15303

Chicago Manual of Style (16th Edition):

Lascaris, Erik. “Liquid-liquid phase transitions and water-like anomalies in liquids.” 2014. Doctoral Dissertation, Boston University. Accessed March 06, 2021. http://hdl.handle.net/2144/15303.

MLA Handbook (7th Edition):

Lascaris, Erik. “Liquid-liquid phase transitions and water-like anomalies in liquids.” 2014. Web. 06 Mar 2021.

Vancouver:

Lascaris E. Liquid-liquid phase transitions and water-like anomalies in liquids. [Internet] [Doctoral dissertation]. Boston University; 2014. [cited 2021 Mar 06]. Available from: http://hdl.handle.net/2144/15303.

Council of Science Editors:

Lascaris E. Liquid-liquid phase transitions and water-like anomalies in liquids. [Doctoral Dissertation]. Boston University; 2014. Available from: http://hdl.handle.net/2144/15303


Virginia Commonwealth University

29. Al-Nsour, Rawan. MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS.

Degree: PhD, Mechanical and Nuclear Engineering, 2014, Virginia Commonwealth University

  Fluoropolymers are employed in countless end-user applications across several industries. One such fluoropolymer is polytetrafluoroethylene. This research is concerned with studying and understanding the… (more)

Subjects/Keywords: Molecular Dynamics Simulations; Polytetrafluoroethylene; Glassy Transition Temperature; Mechanical Engineering

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Al-Nsour, R. (2014). MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS. (Doctoral Dissertation). Virginia Commonwealth University. Retrieved from https://doi.org/10.25772/Q9FZ-X547 ; https://scholarscompass.vcu.edu/etd/3845

Chicago Manual of Style (16th Edition):

Al-Nsour, Rawan. “MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS.” 2014. Doctoral Dissertation, Virginia Commonwealth University. Accessed March 06, 2021. https://doi.org/10.25772/Q9FZ-X547 ; https://scholarscompass.vcu.edu/etd/3845.

MLA Handbook (7th Edition):

Al-Nsour, Rawan. “MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS.” 2014. Web. 06 Mar 2021.

Vancouver:

Al-Nsour R. MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS. [Internet] [Doctoral dissertation]. Virginia Commonwealth University; 2014. [cited 2021 Mar 06]. Available from: https://doi.org/10.25772/Q9FZ-X547 ; https://scholarscompass.vcu.edu/etd/3845.

Council of Science Editors:

Al-Nsour R. MOLECULAR DYNAMICS SIMULATIONS OF PURE POLYTETRAFLUOROETHYLENE NEAR GLASSY TRANSITION TEMPERATURE FOR DIFFERENT MOLECULAR WEIGHTS. [Doctoral Dissertation]. Virginia Commonwealth University; 2014. Available from: https://doi.org/10.25772/Q9FZ-X547 ; https://scholarscompass.vcu.edu/etd/3845


University of Western Ontario

30. Martin, Leanne. Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations.

Degree: 2020, University of Western Ontario

 Electrospray ionization mass spectrometry (ESI-MS) is a powerful technique to investigate proteins and many other analytes. However, many fundamental aspects of ESI remain poorly understood.… (more)

Subjects/Keywords: Proteins; Electrospray Ionization Mass Spectrometry; Supercharging; Molecular Dynamics Simulations; Salt Clusters

Record DetailsSimilar RecordsGoogle PlusoneFacebookTwitterCiteULikeMendeleyreddit

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Martin, L. (2020). Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/7336

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Martin, Leanne. “Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations.” 2020. Thesis, University of Western Ontario. Accessed March 06, 2021. https://ir.lib.uwo.ca/etd/7336.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Martin, Leanne. “Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations.” 2020. Web. 06 Mar 2021.

Vancouver:

Martin L. Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations. [Internet] [Thesis]. University of Western Ontario; 2020. [cited 2021 Mar 06]. Available from: https://ir.lib.uwo.ca/etd/7336.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Martin L. Mechanistic Insights into Analyte Charge Enhancement using Mass Spectrometry and Molecular Dynamics Simulations. [Thesis]. University of Western Ontario; 2020. Available from: https://ir.lib.uwo.ca/etd/7336

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

[1] [2] [3] [4] [5] … [13]

.