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You searched for subject:(Molecular simulations). Showing records 1 – 30 of 505 total matches.

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Penn State University

1. Zhang, Wenlin. Predicting molecular properties and phase behaviors for conjugated polymers.

Degree: 2017, Penn State University

 Conjugated polymers, though still outperformed by their inorganic counterparts, are promising materials for flexible electronics, including field-effect transistors and solar cells. The mechanical and electrical… (more)

Subjects/Keywords: Conjugated Polymers; Molecular Simulations

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APA (6th Edition):

Zhang, W. (2017). Predicting molecular properties and phase behaviors for conjugated polymers. (Thesis). Penn State University. Retrieved from https://submit-etda.libraries.psu.edu/catalog/14218wwz5031

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):

Zhang, Wenlin. “Predicting molecular properties and phase behaviors for conjugated polymers.” 2017. Thesis, Penn State University. Accessed April 11, 2021. https://submit-etda.libraries.psu.edu/catalog/14218wwz5031.

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

MLA Handbook (7th Edition):

Zhang, Wenlin. “Predicting molecular properties and phase behaviors for conjugated polymers.” 2017. Web. 11 Apr 2021.

Vancouver:

Zhang W. Predicting molecular properties and phase behaviors for conjugated polymers. [Internet] [Thesis]. Penn State University; 2017. [cited 2021 Apr 11]. Available from: https://submit-etda.libraries.psu.edu/catalog/14218wwz5031.

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

Council of Science Editors:

Zhang W. Predicting molecular properties and phase behaviors for conjugated polymers. [Thesis]. Penn State University; 2017. Available from: https://submit-etda.libraries.psu.edu/catalog/14218wwz5031

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 April 11, 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. 11 Apr 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 Apr 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


University of Illinois – Chicago

3. 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 April 11, 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. 11 Apr 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 Apr 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


Laurentian University

4. 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

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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 April 11, 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. 11 Apr 2021.

Vancouver:

Mangiardi C. Moleclar-dynamics simulations using spatial decomposition and task-based parallelism . [Internet] [Thesis]. Laurentian University; 2016. [cited 2021 Apr 11]. 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


University of New South Wales

5. Sun, Delin. Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes.

Degree: Physical, Environmental & Mathematical Sciences, 2016, University of New South Wales

 Membrane-active peptides represent a wide class of short-sequenced proteins, which have a disruptive effect on the structural integrity of cell membranes. The underlying molecular processes… (more)

Subjects/Keywords: molecular simulations; peptide; lipid bilayer

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APA (6th Edition):

Sun, D. (2016). Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes. (Doctoral Dissertation). University of New South Wales. Retrieved from http://handle.unsw.edu.au/1959.4/55887 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:39597/SOURCE02?view=true

Chicago Manual of Style (16th Edition):

Sun, Delin. “Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes.” 2016. Doctoral Dissertation, University of New South Wales. Accessed April 11, 2021. http://handle.unsw.edu.au/1959.4/55887 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:39597/SOURCE02?view=true.

MLA Handbook (7th Edition):

Sun, Delin. “Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes.” 2016. Web. 11 Apr 2021.

Vancouver:

Sun D. Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes. [Internet] [Doctoral dissertation]. University of New South Wales; 2016. [cited 2021 Apr 11]. Available from: http://handle.unsw.edu.au/1959.4/55887 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:39597/SOURCE02?view=true.

Council of Science Editors:

Sun D. Molecular simulations explore disruptive actions of membrane-active peptides in lipid membranes. [Doctoral Dissertation]. University of New South Wales; 2016. Available from: http://handle.unsw.edu.au/1959.4/55887 ; https://unsworks.unsw.edu.au/fapi/datastream/unsworks:39597/SOURCE02?view=true

6. Santoni, Gianluca. Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs.

Degree: Docteur es, Physique pour les sciences du vivant, 2015, Université Grenoble Alpes (ComUE)

L’acétylcholinestérase (AChE), une des enzymes les plus rapides dans la nature, est lacible d’un large nombre de toxiques, dont notamment les neurotoxiques organophosphorés.La première partie… (more)

Subjects/Keywords: Acetylcholinesterase; Crystallographie; Simulations moléculaires; Acetylcholinesterase; Crystallography; Molecular simulations; 530

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APA (6th Edition):

Santoni, G. (2015). Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs. (Doctoral Dissertation). Université Grenoble Alpes (ComUE). Retrieved from http://www.theses.fr/2015GREAY019

Chicago Manual of Style (16th Edition):

Santoni, Gianluca. “Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs.” 2015. Doctoral Dissertation, Université Grenoble Alpes (ComUE). Accessed April 11, 2021. http://www.theses.fr/2015GREAY019.

MLA Handbook (7th Edition):

Santoni, Gianluca. “Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs.” 2015. Web. 11 Apr 2021.

Vancouver:

Santoni G. Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs. [Internet] [Doctoral dissertation]. Université Grenoble Alpes (ComUE); 2015. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2015GREAY019.

Council of Science Editors:

Santoni G. Structural dynamics of acetylcholinesterase and its implications in reactivators design : Dynamique structurale de l'acetylcholinesterase et ses implications dans la conception de réactivateurs. [Doctoral Dissertation]. Université Grenoble Alpes (ComUE); 2015. Available from: http://www.theses.fr/2015GREAY019


University of Manchester

7. Banerjee, Sayantan. A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF.

Degree: 2016, University of Manchester

 Carbonaceous deposits in vehicle engines are high molecular weight compounds, which adhere to different engine components resulting in loss of fuel economy, engine performance and… (more)

Subjects/Keywords: ReaxFF; Molecular simulations; Cementite; Combustion gases; Analysis

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APA (6th Edition):

Banerjee, S. (2016). A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF. (Doctoral Dissertation). University of Manchester. Retrieved from http://www.manchester.ac.uk/escholar/uk-ac-man-scw:297039

Chicago Manual of Style (16th Edition):

Banerjee, Sayantan. “A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF.” 2016. Doctoral Dissertation, University of Manchester. Accessed April 11, 2021. http://www.manchester.ac.uk/escholar/uk-ac-man-scw:297039.

MLA Handbook (7th Edition):

Banerjee, Sayantan. “A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF.” 2016. Web. 11 Apr 2021.

Vancouver:

Banerjee S. A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF. [Internet] [Doctoral dissertation]. University of Manchester; 2016. [cited 2021 Apr 11]. Available from: http://www.manchester.ac.uk/escholar/uk-ac-man-scw:297039.

Council of Science Editors:

Banerjee S. A molecular simulations analysis of cementite in presence of combustion gases using ReaxFF. [Doctoral Dissertation]. University of Manchester; 2016. Available from: http://www.manchester.ac.uk/escholar/uk-ac-man-scw:297039


Cornell University

8. 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

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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 April 11, 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. 11 Apr 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 Apr 11]. 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


University of Adelaide

9. Evans, Jack D. Simulations of Molecular and Extended Porous Materials.

Degree: 2015, University of Adelaide

 Porous materials play vital roles in many industries and currently there is intense interest in developing new examples due to their direct application to clean… (more)

Subjects/Keywords: Molecular simulations; Porous materials; MOFs; DFT

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APA (6th Edition):

Evans, J. D. (2015). Simulations of Molecular and Extended Porous Materials. (Thesis). University of Adelaide. Retrieved from http://hdl.handle.net/2440/119471

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):

Evans, Jack D. “Simulations of Molecular and Extended Porous Materials.” 2015. Thesis, University of Adelaide. Accessed April 11, 2021. http://hdl.handle.net/2440/119471.

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

MLA Handbook (7th Edition):

Evans, Jack D. “Simulations of Molecular and Extended Porous Materials.” 2015. Web. 11 Apr 2021.

Vancouver:

Evans JD. Simulations of Molecular and Extended Porous Materials. [Internet] [Thesis]. University of Adelaide; 2015. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/2440/119471.

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

Council of Science Editors:

Evans JD. Simulations of Molecular and Extended Porous Materials. [Thesis]. University of Adelaide; 2015. Available from: http://hdl.handle.net/2440/119471

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


Syracuse University

10. 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 April 11, 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. 11 Apr 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 Apr 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

11. 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 April 11, 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. 11 Apr 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 Apr 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 Houston

12. Dai, Wei. Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes.

Degree: MS, Chemical Engineering, 2014, University of Houston

 Membrane proteins have a critical role in signal transduction pathways. The current hypothesis is that different specific arrangements of transmembrane domains (TMD) facilitate the activation… (more)

Subjects/Keywords: Molecular simulations; Transmembrane Protein; Multiscale modeling; Receptors

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APA (6th Edition):

Dai, W. (2014). Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes. (Masters Thesis). University of Houston. Retrieved from http://hdl.handle.net/10657/4672

Chicago Manual of Style (16th Edition):

Dai, Wei. “Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes.” 2014. Masters Thesis, University of Houston. Accessed April 11, 2021. http://hdl.handle.net/10657/4672.

MLA Handbook (7th Edition):

Dai, Wei. “Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes.” 2014. Web. 11 Apr 2021.

Vancouver:

Dai W. Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes. [Internet] [Masters thesis]. University of Houston; 2014. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/10657/4672.

Council of Science Editors:

Dai W. Multiscale Modeling of the Organization of Receptor Transmembrane Domains in Lipid Membranes. [Masters Thesis]. University of Houston; 2014. Available from: http://hdl.handle.net/10657/4672


University of Manchester

13. 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 April 11, 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. 11 Apr 2021.

Vancouver:

Nawaz S. Molecular dynamics simulations of amphiphilic macromolecules at interfaces. [Internet] [Doctoral dissertation]. University of Manchester; 2013. [cited 2021 Apr 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


University of Southern California

14. 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 April 11, 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. 11 Apr 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 Apr 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

15. 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 · 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 April 11, 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. 11 Apr 2021.

Vancouver:

Aryal D. Computational Insight into Structured Ionic Co-polymers from Molecule to Membrane. [Internet] [Doctoral dissertation]. Clemson University; 2017. [cited 2021 Apr 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


Georgia Tech

16. Awati, Rohan Vivek. Development of accurate computational methods for simulations of adsorption and diffusion in zeolites.

Degree: PhD, Chemical and Biomolecular Engineering, 2016, Georgia Tech

 The overall objective of this thesis has been to develop accurate computational methods for the diffusion and adsorption of small gases in zeolites. Firstly, the… (more)

Subjects/Keywords: Molecular simulations; Force field; Flexible framework

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APA (6th Edition):

Awati, R. V. (2016). Development of accurate computational methods for simulations of adsorption and diffusion in zeolites. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/54945

Chicago Manual of Style (16th Edition):

Awati, Rohan Vivek. “Development of accurate computational methods for simulations of adsorption and diffusion in zeolites.” 2016. Doctoral Dissertation, Georgia Tech. Accessed April 11, 2021. http://hdl.handle.net/1853/54945.

MLA Handbook (7th Edition):

Awati, Rohan Vivek. “Development of accurate computational methods for simulations of adsorption and diffusion in zeolites.” 2016. Web. 11 Apr 2021.

Vancouver:

Awati RV. Development of accurate computational methods for simulations of adsorption and diffusion in zeolites. [Internet] [Doctoral dissertation]. Georgia Tech; 2016. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/1853/54945.

Council of Science Editors:

Awati RV. Development of accurate computational methods for simulations of adsorption and diffusion in zeolites. [Doctoral Dissertation]. Georgia Tech; 2016. Available from: http://hdl.handle.net/1853/54945


University of Edinburgh

17. 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 April 11, 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. 11 Apr 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 Apr 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

18. 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 April 11, 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. 11 Apr 2021.

Vancouver:

Hilbig T. Scratch Modeling of Polymeric Materials with Molecular Dynamics. [Internet] [Thesis]. University of North Texas; 2012. [cited 2021 Apr 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

19. 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 April 11, 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. 11 Apr 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 Apr 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


University of Colorado

20. VanFosson, Alex Philip. Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding.

Degree: MS, Chemical & Biochemical Engineering, 2013, University of Colorado

  In this paper we use atomistic molecular dynamics simulations to study the structural reasons underlying the DNA binding efficacy of several polyamine-aminoglycoside compounds. We… (more)

Subjects/Keywords: aminoglycoside; atomistic; dilysine; molecular simulations; polyamine; spermine; Biochemistry; Molecular Biology

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APA (6th Edition):

VanFosson, A. P. (2013). Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding. (Masters Thesis). University of Colorado. Retrieved from https://scholar.colorado.edu/chbe_gradetds/49

Chicago Manual of Style (16th Edition):

VanFosson, Alex Philip. “Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding.” 2013. Masters Thesis, University of Colorado. Accessed April 11, 2021. https://scholar.colorado.edu/chbe_gradetds/49.

MLA Handbook (7th Edition):

VanFosson, Alex Philip. “Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding.” 2013. Web. 11 Apr 2021.

Vancouver:

VanFosson AP. Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding. [Internet] [Masters thesis]. University of Colorado; 2013. [cited 2021 Apr 11]. Available from: https://scholar.colorado.edu/chbe_gradetds/49.

Council of Science Editors:

VanFosson AP. Molecular Simulations Studies of the Effect of Ligand Architecture on DNA Binding. [Masters Thesis]. University of Colorado; 2013. Available from: https://scholar.colorado.edu/chbe_gradetds/49

21. Tzounis, Panagiotis - Nikolaos. Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations.

Degree: 2019, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ)

 In Directed Self-Assembly (DSA) lithography, atomistic simulations can provide valuable information about the structure, thermodynamics, and dynamics of the polymer systems employed. Essential parameters, such… (more)

Subjects/Keywords: Μοριακές προσομοιώσεις; Μόντε Κάρλο Προσομοιώσεις; Πολυμερή; Molecular simulations; Monte Carlo simulations; Polymers

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APA (6th Edition):

Tzounis, P. -. N. (2019). Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations. (Thesis). National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Retrieved from http://hdl.handle.net/10442/hedi/45581

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):

Tzounis, Panagiotis - Nikolaos. “Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations.” 2019. Thesis, National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ). Accessed April 11, 2021. http://hdl.handle.net/10442/hedi/45581.

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

MLA Handbook (7th Edition):

Tzounis, Panagiotis - Nikolaos. “Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations.” 2019. Web. 11 Apr 2021.

Vancouver:

Tzounis P-N. Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations. [Internet] [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2019. [cited 2021 Apr 11]. Available from: http://hdl.handle.net/10442/hedi/45581.

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

Council of Science Editors:

Tzounis P-N. Prediction of conformational and mixing properties of polymers relevant to lithographic applications through atomistic simulations. [Thesis]. National Technical University of Athens (NTUA); Εθνικό Μετσόβιο Πολυτεχνείο (ΕΜΠ); 2019. Available from: http://hdl.handle.net/10442/hedi/45581

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

22. 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 · 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 April 11, 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. 11 Apr 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 Apr 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

23. Al Bluwi, Ibrahim. Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins.

Degree: Docteur es, Automatique et Informatique, 2012, Toulouse, INSA

Cette thèse présente une approche de modélisation inspirée par la robotique pour l'étude des changements conformationnels des protéines. Cette approche est basée sur une représentation… (more)

Subjects/Keywords: Planification de mouvement; Simulations moléculaires; Robotique; Cinématique; Motion Planning; Robotics; Molecular Simulations; Kinematics; 004

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APA (6th Edition):

Al Bluwi, I. (2012). Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins. (Doctoral Dissertation). Toulouse, INSA. Retrieved from http://www.theses.fr/2012ISAT0011

Chicago Manual of Style (16th Edition):

Al Bluwi, Ibrahim. “Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins.” 2012. Doctoral Dissertation, Toulouse, INSA. Accessed April 11, 2021. http://www.theses.fr/2012ISAT0011.

MLA Handbook (7th Edition):

Al Bluwi, Ibrahim. “Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins.” 2012. Web. 11 Apr 2021.

Vancouver:

Al Bluwi I. Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins. [Internet] [Doctoral dissertation]. Toulouse, INSA; 2012. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2012ISAT0011.

Council of Science Editors:

Al Bluwi I. Méthodes inspirées de la robotique pour la simulation des changements conformationnels des protéines : Robotics-Inspired Methods for the Simulation of Conformational Changes in Proteins. [Doctoral Dissertation]. Toulouse, INSA; 2012. Available from: http://www.theses.fr/2012ISAT0011

24. Edorh, Semeho. Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions.

Degree: Docteur es, Mathématiques et informatique, 2018, Grenoble Alpes

Avec l’essor des ordinateurs, les simulations numériques sont devenues un outil de choix pour l’étude des systèmes de particules que l’on rencontre régulièrement en physique,… (more)

Subjects/Keywords: Mathematiques; Informatique; Simulations; Dynamique Moleculaire; Mathematics; Computer Science; Simulations; Molecular Dynamique; 004

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APA (6th Edition):

Edorh, S. (2018). Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions. (Doctoral Dissertation). Grenoble Alpes. Retrieved from http://www.theses.fr/2018GREAM047

Chicago Manual of Style (16th Edition):

Edorh, Semeho. “Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions.” 2018. Doctoral Dissertation, Grenoble Alpes. Accessed April 11, 2021. http://www.theses.fr/2018GREAM047.

MLA Handbook (7th Edition):

Edorh, Semeho. “Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions.” 2018. Web. 11 Apr 2021.

Vancouver:

Edorh S. Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions. [Internet] [Doctoral dissertation]. Grenoble Alpes; 2018. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2018GREAM047.

Council of Science Editors:

Edorh S. Algorithmes incrémentaux pour le calcul des interactions longue portée : Incremental Algorithm for long range interactions. [Doctoral Dissertation]. Grenoble Alpes; 2018. Available from: http://www.theses.fr/2018GREAM047

25. Mancillas Vaquera, Brisa. Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface.

Degree: Docteur es, Astronomie et Astrophysique, 2019, Paris Sciences et Lettres (ComUE)

 L'exploration de l'émission de lumière diffuse et de la périphérie des galaxies dans le régime de faible luminosité de surface (LSB pour ses sigles en… (more)

Subjects/Keywords: Galaxies; Simulations; Predictions; Gaz moléculaire; Coquilles; Galaxies; Simulations; Predictions; Molecular gas; Shells; 520

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APA (6th Edition):

Mancillas Vaquera, B. (2019). Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface. (Doctoral Dissertation). Paris Sciences et Lettres (ComUE). Retrieved from http://www.theses.fr/2019PSLEO013

Chicago Manual of Style (16th Edition):

Mancillas Vaquera, Brisa. “Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface.” 2019. Doctoral Dissertation, Paris Sciences et Lettres (ComUE). Accessed April 11, 2021. http://www.theses.fr/2019PSLEO013.

MLA Handbook (7th Edition):

Mancillas Vaquera, Brisa. “Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface.” 2019. Web. 11 Apr 2021.

Vancouver:

Mancillas Vaquera B. Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface. [Internet] [Doctoral dissertation]. Paris Sciences et Lettres (ComUE); 2019. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2019PSLEO013.

Council of Science Editors:

Mancillas Vaquera B. Extending the realm of galaxies to the low surface brightness universe : Étendre le domaine des galaxies aux faibles luminosités de surface. [Doctoral Dissertation]. Paris Sciences et Lettres (ComUE); 2019. Available from: http://www.theses.fr/2019PSLEO013


University of Edinburgh

26. 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 · 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 April 11, 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. 11 Apr 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 Apr 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

27. Oulebsir, Fouad. Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials.

Degree: Docteur es, Génie pétrolier, 2017, Pau

 L'exploitation des ressources non conventionnelles de roches mères telles que les schistes gazeux contribue de plus en plus au mix énergétique mondial en raison de… (more)

Subjects/Keywords: Diffusion; Perméation; Matériaux microporeux; Simulations moléculaires; Diffusion; Permeation; Microporous materials; Molecular simulations; 665

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APA (6th Edition):

Oulebsir, F. (2017). Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials. (Doctoral Dissertation). Pau. Retrieved from http://www.theses.fr/2017PAUU3018

Chicago Manual of Style (16th Edition):

Oulebsir, Fouad. “Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials.” 2017. Doctoral Dissertation, Pau. Accessed April 11, 2021. http://www.theses.fr/2017PAUU3018.

MLA Handbook (7th Edition):

Oulebsir, Fouad. “Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials.” 2017. Web. 11 Apr 2021.

Vancouver:

Oulebsir F. Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials. [Internet] [Doctoral dissertation]. Pau; 2017. [cited 2021 Apr 11]. Available from: http://www.theses.fr/2017PAUU3018.

Council of Science Editors:

Oulebsir F. Transport de fluides dans les matériaux microporeux : Transport of fluids in microporous materials. [Doctoral Dissertation]. Pau; 2017. Available from: http://www.theses.fr/2017PAUU3018


University of Edinburgh

28. 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 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 April 11, 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. 11 Apr 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 Apr 11]. 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

29. 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

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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 April 11, 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. 11 Apr 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 Apr 11]. 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

30. 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

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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 April 11, 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. 11 Apr 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 Apr 11]. 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

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