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You searched for subject:(molecular dynamics simulations). Showing records 1 – 30 of 330 total matches.

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University of Illinois – Chicago

1. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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


University of Iowa

2. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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


Louisiana State University

3. Rojas, Ana. A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field.

Degree: PhD, Physical Sciences and Mathematics, 2010, Louisiana State University

 Alzheimer’s disease (AD) is a brain disorder named after the German psychiatrist Alois Alzheimer, who first described the disease in 1906. AD is a form… (more)

Subjects/Keywords: protein folding; misfolding disease; molecular dynamics; simulations

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APA (6th Edition):

Rojas, A. (2010). A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-08162010-102550 ; https://digitalcommons.lsu.edu/gradschool_dissertations/351

Chicago Manual of Style (16th Edition):

Rojas, Ana. “A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field.” 2010. Doctoral Dissertation, Louisiana State University. Accessed August 11, 2020. etd-08162010-102550 ; https://digitalcommons.lsu.edu/gradschool_dissertations/351.

MLA Handbook (7th Edition):

Rojas, Ana. “A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field.” 2010. Web. 11 Aug 2020.

Vancouver:

Rojas A. A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field. [Internet] [Doctoral dissertation]. Louisiana State University; 2010. [cited 2020 Aug 11]. Available from: etd-08162010-102550 ; https://digitalcommons.lsu.edu/gradschool_dissertations/351.

Council of Science Editors:

Rojas A. A study of the elongation of fibrils of the Alzheimer's amyloid beta protein with a coarse-grained force field. [Doctoral Dissertation]. Louisiana State University; 2010. Available from: etd-08162010-102550 ; https://digitalcommons.lsu.edu/gradschool_dissertations/351


Louisiana State University

4. Alapati, Raghava. Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide.

Degree: MSME, Mechanical Engineering, 2009, Louisiana State University

 In a typical cryopreservation protocol, the system to be preserved is first equilibrated with chemicals known as cryoprotective agents (CPAs). CPAs have been shown to… (more)

Subjects/Keywords: DMSO; Lipids; Molecular Dynamics; Simulations; Gromacs

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APA (6th Edition):

Alapati, R. (2009). Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide. (Masters Thesis). Louisiana State University. Retrieved from etd-11122009-184612 ; https://digitalcommons.lsu.edu/gradschool_theses/2242

Chicago Manual of Style (16th Edition):

Alapati, Raghava. “Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide.” 2009. Masters Thesis, Louisiana State University. Accessed August 11, 2020. etd-11122009-184612 ; https://digitalcommons.lsu.edu/gradschool_theses/2242.

MLA Handbook (7th Edition):

Alapati, Raghava. “Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide.” 2009. Web. 11 Aug 2020.

Vancouver:

Alapati R. Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide. [Internet] [Masters thesis]. Louisiana State University; 2009. [cited 2020 Aug 11]. Available from: etd-11122009-184612 ; https://digitalcommons.lsu.edu/gradschool_theses/2242.

Council of Science Editors:

Alapati R. Atomistic simulations of lipid bilayers in the presence of dimethylsulfoxide. [Masters Thesis]. Louisiana State University; 2009. Available from: etd-11122009-184612 ; https://digitalcommons.lsu.edu/gradschool_theses/2242


Cornell University

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

Degree: 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

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APA (6th Edition):

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

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):

Ackerman, David. “Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides .” 2015. Thesis, Cornell University. Accessed August 11, 2020. http://hdl.handle.net/1813/40908.

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

MLA Handbook (7th Edition):

Ackerman, David. “Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides .” 2015. Web. 11 Aug 2020.

Vancouver:

Ackerman D. Molecular Dynamics Simulations Of Lipid Membranes: The Effects Of Probes, Lipid Composition And Peptides . [Internet] [Thesis]. Cornell University; 2015. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/1813/40908.

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

Council of Science Editors:

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

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


University of Manchester

6. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Nawaz S. Molecular dynamics simulations of amphiphilic macromolecules at interfaces. [Internet] [Doctoral dissertation]. University of Manchester; 2013. [cited 2020 Aug 11]. 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


Syracuse University

7. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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

8. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Storey AN. Effects of Molecular Architecture on the Structure and Dynamics of Supported Ultrathin Polymer Films. [Internet] [Masters thesis]. Wesleyan University; 2019. [cited 2020 Aug 11]. 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 Southern California

9. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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

10. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Aryal D. Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane. [Internet] [Doctoral dissertation]. Clemson University; 2017. [cited 2020 Aug 11]. 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

11. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Naithani A. Molecular dynamics study of the allosteric control mechanisms of the glycolytic pathway. [Internet] [Doctoral dissertation]. University of Edinburgh; 2015. [cited 2020 Aug 11]. 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

12. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Hilbig T. Scratch Modeling of Polymeric Materials with Molecular Dynamics. [Internet] [Thesis]. University of North Texas; 2012. [cited 2020 Aug 11]. 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

13. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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

14. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Huang Y. A Computational Study of Graphene Composites. [Internet] [Doctoral dissertation]. NSYSU; 2017. [cited 2020 Aug 11]. 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


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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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

16. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Ding M. Molecular simulations of reverse osmosis membranes : Simulations moléculaires de membranes d'osmose inverse. [Internet] [Doctoral dissertation]. Rennes 1; 2015. [cited 2020 Aug 11]. 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


Penn State University

17. 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: PhD, Mechanical Engineering, 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

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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. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/ft848q60n

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. Doctoral Dissertation, Penn State University. Accessed August 11, 2020. https://etda.libraries.psu.edu/catalog/ft848q60n.

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. 11 Aug 2020.

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] [Doctoral dissertation]. Penn State University; 2016. [cited 2020 Aug 11]. Available from: https://etda.libraries.psu.edu/catalog/ft848q60n.

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. [Doctoral Dissertation]. Penn State University; 2016. Available from: https://etda.libraries.psu.edu/catalog/ft848q60n


Penn State University

18. Ryan, Kathleen Elizabeth. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.

Degree: PhD, Chemistry, 2009, Penn State University

Molecular dynamics (MD) simulations are performed to elucidate the physics surrounding secondary ion mass spectrometry (SIMS). During SIMS, an energetic projectile is bombarded against… (more)

Subjects/Keywords: particle bombardment; simulations; molecular dynamics; secondary ion mass spectrometry; SIMS

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APA (6th Edition):

Ryan, K. E. (2009). Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/9759

Chicago Manual of Style (16th Edition):

Ryan, Kathleen Elizabeth. “Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.” 2009. Doctoral Dissertation, Penn State University. Accessed August 11, 2020. https://etda.libraries.psu.edu/catalog/9759.

MLA Handbook (7th Edition):

Ryan, Kathleen Elizabeth. “Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids.” 2009. Web. 11 Aug 2020.

Vancouver:

Ryan KE. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. [Internet] [Doctoral dissertation]. Penn State University; 2009. [cited 2020 Aug 11]. Available from: https://etda.libraries.psu.edu/catalog/9759.

Council of Science Editors:

Ryan KE. Molecular Dynamics Simulations of Energetic Particle Bombardment of Molecular Solids. [Doctoral Dissertation]. Penn State University; 2009. Available from: https://etda.libraries.psu.edu/catalog/9759


Louisiana State University

19. Rountree, Cindy Lynn. Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica.

Degree: PhD, Physical Sciences and Mathematics, 2003, Louisiana State University

 Atomistic aspects of dynamic fracture in amorphous and nanostructured silica are herein studied via Molecular dynamics (MD) simulations, ranging from a million to 113 million… (more)

Subjects/Keywords: fracture; simulations; molecular dynamics; silica

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APA (6th Edition):

Rountree, C. L. (2003). Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica. (Doctoral Dissertation). Louisiana State University. Retrieved from etd-1030103-161928 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3893

Chicago Manual of Style (16th Edition):

Rountree, Cindy Lynn. “Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica.” 2003. Doctoral Dissertation, Louisiana State University. Accessed August 11, 2020. etd-1030103-161928 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3893.

MLA Handbook (7th Edition):

Rountree, Cindy Lynn. “Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica.” 2003. Web. 11 Aug 2020.

Vancouver:

Rountree CL. Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica. [Internet] [Doctoral dissertation]. Louisiana State University; 2003. [cited 2020 Aug 11]. Available from: etd-1030103-161928 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3893.

Council of Science Editors:

Rountree CL. Massively parallel molecular dynamics simulations of crack-front dynamics and morphology in amorphous nanostructured silica. [Doctoral Dissertation]. Louisiana State University; 2003. Available from: etd-1030103-161928 ; https://digitalcommons.lsu.edu/gradschool_dissertations/3893


University of California – Irvine

20. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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


University of Minnesota

21. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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 Pennsylvania

22. Shavit, Amit. Nanomechanics of Glassy Polymers Under Confinement.

Degree: 2015, University of Pennsylvania

 Many of today's nanotechnologies and processes rely on highly confined (<30 nm) polymer glasses and polymer nanocomposites. These materials have aided the development of smaller… (more)

Subjects/Keywords: glass transition; molecular dynamics; simulations; thin films; Chemical Engineering

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APA (6th Edition):

Shavit, A. (2015). Nanomechanics of Glassy Polymers Under Confinement. (Thesis). University of Pennsylvania. Retrieved from https://repository.upenn.edu/edissertations/2004

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):

Shavit, Amit. “Nanomechanics of Glassy Polymers Under Confinement.” 2015. Thesis, University of Pennsylvania. Accessed August 11, 2020. https://repository.upenn.edu/edissertations/2004.

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

MLA Handbook (7th Edition):

Shavit, Amit. “Nanomechanics of Glassy Polymers Under Confinement.” 2015. Web. 11 Aug 2020.

Vancouver:

Shavit A. Nanomechanics of Glassy Polymers Under Confinement. [Internet] [Thesis]. University of Pennsylvania; 2015. [cited 2020 Aug 11]. Available from: https://repository.upenn.edu/edissertations/2004.

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

Council of Science Editors:

Shavit A. Nanomechanics of Glassy Polymers Under Confinement. [Thesis]. University of Pennsylvania; 2015. Available from: https://repository.upenn.edu/edissertations/2004

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


Boston University

23. 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

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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 August 11, 2020. http://hdl.handle.net/2144/15303.

MLA Handbook (7th Edition):

Lascaris, Erik. “Liquid-liquid phase transitions and water-like anomalies in liquids.” 2014. Web. 11 Aug 2020.

Vancouver:

Lascaris E. Liquid-liquid phase transitions and water-like anomalies in liquids. [Internet] [Doctoral dissertation]. Boston University; 2014. [cited 2020 Aug 11]. 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


NSYSU

24. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Chang S. Modeling of nano-particle motion: subjected to press of two moving bodies. [Internet] [Doctoral dissertation]. NSYSU; 2012. [cited 2020 Aug 11]. 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

25. Kizzire, Dayton Gage. An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials.

Degree: MSin Materials Science, Physics, Astronomy, and Materials Science, 2016, Missouri State University

 Periodic mesoporous materials have tunable pore sizes and high surface to volume ratios. Some of the most anticipated applications are those that call for energy… (more)

Subjects/Keywords: aluminosilica; mesoporous; nanomaterial; molecular dynamics; simulations; Materials Science and Engineering

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APA (6th Edition):

Kizzire, D. G. (2016). An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials. (Masters Thesis). Missouri State University. Retrieved from https://bearworks.missouristate.edu/theses/3034

Chicago Manual of Style (16th Edition):

Kizzire, Dayton Gage. “An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials.” 2016. Masters Thesis, Missouri State University. Accessed August 11, 2020. https://bearworks.missouristate.edu/theses/3034.

MLA Handbook (7th Edition):

Kizzire, Dayton Gage. “An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials.” 2016. Web. 11 Aug 2020.

Vancouver:

Kizzire DG. An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials. [Internet] [Masters thesis]. Missouri State University; 2016. [cited 2020 Aug 11]. Available from: https://bearworks.missouristate.edu/theses/3034.

Council of Science Editors:

Kizzire DG. An Experimental And Computational Investigation Of The Mechanical, Structural, And Hydrothermal Properties Of Mesoporous Materials. [Masters Thesis]. Missouri State University; 2016. Available from: https://bearworks.missouristate.edu/theses/3034


Virginia Commonwealth University

26. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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


Texas A&M University

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

Degree: 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

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APA (6th Edition):

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

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):

Smith, Taylor William. “Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries.” 2015. Thesis, Texas A&M University. Accessed August 11, 2020. http://hdl.handle.net/1969.1/156452.

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

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. 11 Aug 2020.

Vancouver:

Smith TW. Effects of Electrolyte Composition and Polysulfide Species on the Reactivity of Lithium Anodes in Lithium-Sulfur Batteries. [Internet] [Thesis]. Texas A&M University; 2015. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/1969.1/156452.

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

Council of Science Editors:

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

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


Mississippi State University

28. 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

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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 August 11, 2020. 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. 11 Aug 2020.

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 2020 Aug 11]. 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/ ;


Cornell University

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

Degree: 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

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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 . (Thesis). Cornell University. Retrieved from http://hdl.handle.net/1813/36182

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):

Stolzenberg, Sebastian. “Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters .” 2014. Thesis, Cornell University. Accessed August 11, 2020. http://hdl.handle.net/1813/36182.

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

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. 11 Aug 2020.

Vancouver:

Stolzenberg S. Multi-Scale Computational Studies Of Molecular Mechanisms In The Function Of Membrane-Proteins In The Family Of Neurotransmitter Transporters . [Internet] [Thesis]. Cornell University; 2014. [cited 2020 Aug 11]. Available from: http://hdl.handle.net/1813/36182.

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

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 . [Thesis]. Cornell University; 2014. Available from: http://hdl.handle.net/1813/36182

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


University of Michigan

30. 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

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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 August 11, 2020. 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. 11 Aug 2020.

Vancouver:

Ghanakota P. Incorporating Hotspot Mapping and Allostery in Structure Based Drug Design. [Internet] [Doctoral dissertation]. University of Michigan; 2015. [cited 2020 Aug 11]. 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

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