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You searched for subject:(Molecular Dynamics). Showing records 1 – 30 of 3059 total matches.

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University of Toronto

1. Sun, Hao. Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel.

Degree: PhD, 2020, University of Toronto

 Nickel carbonyl chemical vapor deposition (CVD) is a high-efficiency process used to produce nickel shell molds, which integrates high yield strength, reasonable ductility, and strong… (more)

Subjects/Keywords: detwinning; grain growth; intrinsic grain boundary dislocations; molecular dynamics simulations; nanotwins; Nickel carbonyl chemical vapor deposition; 0794

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APA (6th Edition):

Sun, H. (2020). Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel. (Doctoral Dissertation). University of Toronto. Retrieved from http://hdl.handle.net/1807/100754

Chicago Manual of Style (16th Edition):

Sun, Hao. “Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel.” 2020. Doctoral Dissertation, University of Toronto. Accessed July 15, 2020. http://hdl.handle.net/1807/100754.

MLA Handbook (7th Edition):

Sun, Hao. “Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel.” 2020. Web. 15 Jul 2020.

Vancouver:

Sun H. Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel. [Internet] [Doctoral dissertation]. University of Toronto; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1807/100754.

Council of Science Editors:

Sun H. Kinetics of Detwinning and Grain Boundary Structural Transformation in Chemical Vapor Deposited Nickel. [Doctoral Dissertation]. University of Toronto; 2020. Available from: http://hdl.handle.net/1807/100754


University of Cincinnati

2. Merz, Dale R, Jr. Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights.

Degree: PhD, Arts and Sciences: Chemistry, 2020, University of Cincinnati

 The nanomechanics of heat shock protein (70 kDa) and the mechanical properties of the microtubule lattice were investigated with coarse-grained molecular pulling and indentation simulations,… (more)

Subjects/Keywords: Biophysics; heat shock protein; microtubules; molecular dynamics; pulling simulation; katanin severing; protein folding

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APA (6th Edition):

Merz, Dale R, J. (2020). Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights. (Doctoral Dissertation). University of Cincinnati. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=ucin1583154342504106

Chicago Manual of Style (16th Edition):

Merz, Dale R, Jr. “Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights.” 2020. Doctoral Dissertation, University of Cincinnati. Accessed July 15, 2020. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1583154342504106.

MLA Handbook (7th Edition):

Merz, Dale R, Jr. “Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights.” 2020. Web. 15 Jul 2020.

Vancouver:

Merz, Dale R J. Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights. [Internet] [Doctoral dissertation]. University of Cincinnati; 2020. [cited 2020 Jul 15]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1583154342504106.

Council of Science Editors:

Merz, Dale R J. Molecular simulations uncover the nanomechanics of heat shock protein (70 kDa) & Indentation simulations of microtubules reveal katanin severing insights. [Doctoral Dissertation]. University of Cincinnati; 2020. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=ucin1583154342504106


Virginia Tech

3. Wu, Haiyi. Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning.

Degree: PhD, Mechanical Engineering, 2020, Virginia Tech

 Multiphysics transport phenomena inside structures with non-uniform pores or properties are common in engineering applications, e.g., gas recovery from shale reservoirs and drying of porous… (more)

Subjects/Keywords: shale gas recovery; drying of porous materials; deep learning; pore-network models; molecular dynamics simulations

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APA (6th Edition):

Wu, H. (2020). Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/98520

Chicago Manual of Style (16th Edition):

Wu, Haiyi. “Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning.” 2020. Doctoral Dissertation, Virginia Tech. Accessed July 15, 2020. http://hdl.handle.net/10919/98520.

MLA Handbook (7th Edition):

Wu, Haiyi. “Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning.” 2020. Web. 15 Jul 2020.

Vancouver:

Wu H. Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning. [Internet] [Doctoral dissertation]. Virginia Tech; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10919/98520.

Council of Science Editors:

Wu H. Multiphysics Transport in Heterogeneous Media: from Pore-Scale Modeling to Deep Learning. [Doctoral Dissertation]. Virginia Tech; 2020. Available from: http://hdl.handle.net/10919/98520


Virginia Tech

4. Sharp, Amanda Kristine. Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design.

Degree: MSin Life Sciences, Biochemistry, 2020, Virginia Tech

 Numerous diseases such as cancer, Alzheimer's disease, cardiovascular disease, rheumatoid arthritis, and fibrosis have been attributed to different cell growth and survival pathways. Many of… (more)

Subjects/Keywords: proteins kinases; molecular dynamics simulations; molecular docking; protein structure-function; drug discovery

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APA (6th Edition):

Sharp, A. K. (2020). Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/98471

Chicago Manual of Style (16th Edition):

Sharp, Amanda Kristine. “Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design.” 2020. Masters Thesis, Virginia Tech. Accessed July 15, 2020. http://hdl.handle.net/10919/98471.

MLA Handbook (7th Edition):

Sharp, Amanda Kristine. “Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design.” 2020. Web. 15 Jul 2020.

Vancouver:

Sharp AK. Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design. [Internet] [Masters thesis]. Virginia Tech; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10919/98471.

Council of Science Editors:

Sharp AK. Probing Orthologue and Isoform Specific Inhibition of Kinases using In Silico Strategies: Perspectives for Improved Drug Design. [Masters Thesis]. Virginia Tech; 2020. Available from: http://hdl.handle.net/10919/98471


University of Cambridge

5. Heller, Gabriella Tamar Harris. Small Molecule Binding to Disordered Proteins.

Degree: PhD, 2020, University of Cambridge

 The human proteome includes many proteins that are entirely disordered or contain long disordered regions. Although these proteins are linked with many diseases, there are… (more)

Subjects/Keywords: intrinsically disordered proteins; disordered proteins; IDPs; fuzzy binding; small molecule; drugs; entropy; binding; cancer; Alzheimer's diease; entropic expansion; proteins; aggregation; MD; metadynamics; metainference; metadynamic metainference; restrained simulations; biophysics; structural ensembles; ensemble; neurodegeneration; PLUMED; kinetic modelling; nuclear magnetic resonance; NMR; maximum entropy; integrative modelling; amyloid beta; amyloid beta peptide; AB40; AB42; c-Myc; molecular dynamics; Bayesian inference; disorder; disease; druggability; amyloid; dementia; drug discovery; kinetics; aggregation kinetics

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APA (6th Edition):

Heller, G. T. H. (2020). Small Molecule Binding to Disordered Proteins. (Doctoral Dissertation). University of Cambridge. Retrieved from https://www.repository.cam.ac.uk/handle/1810/303013

Chicago Manual of Style (16th Edition):

Heller, Gabriella Tamar Harris. “Small Molecule Binding to Disordered Proteins.” 2020. Doctoral Dissertation, University of Cambridge. Accessed July 15, 2020. https://www.repository.cam.ac.uk/handle/1810/303013.

MLA Handbook (7th Edition):

Heller, Gabriella Tamar Harris. “Small Molecule Binding to Disordered Proteins.” 2020. Web. 15 Jul 2020.

Vancouver:

Heller GTH. Small Molecule Binding to Disordered Proteins. [Internet] [Doctoral dissertation]. University of Cambridge; 2020. [cited 2020 Jul 15]. Available from: https://www.repository.cam.ac.uk/handle/1810/303013.

Council of Science Editors:

Heller GTH. Small Molecule Binding to Disordered Proteins. [Doctoral Dissertation]. University of Cambridge; 2020. Available from: https://www.repository.cam.ac.uk/handle/1810/303013


Rice University

6. Hruska, Eugen. Adaptive sampling of Conformational Dynamics.

Degree: PhD, Natural Sciences, 2020, Rice University

 At the core of our limited ability to understand many biophysical processes is the challenge of predicting the conformational dynamics of biomolecules. This challenge includes… (more)

Subjects/Keywords: protein folding; molecular dynamics

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APA (6th Edition):

Hruska, E. (2020). Adaptive sampling of Conformational Dynamics. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/108744

Chicago Manual of Style (16th Edition):

Hruska, Eugen. “Adaptive sampling of Conformational Dynamics.” 2020. Doctoral Dissertation, Rice University. Accessed July 15, 2020. http://hdl.handle.net/1911/108744.

MLA Handbook (7th Edition):

Hruska, Eugen. “Adaptive sampling of Conformational Dynamics.” 2020. Web. 15 Jul 2020.

Vancouver:

Hruska E. Adaptive sampling of Conformational Dynamics. [Internet] [Doctoral dissertation]. Rice University; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1911/108744.

Council of Science Editors:

Hruska E. Adaptive sampling of Conformational Dynamics. [Doctoral Dissertation]. Rice University; 2020. Available from: http://hdl.handle.net/1911/108744


Rice University

7. Al Hosani, Mohamed. Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation.

Degree: PhD, Engineering, 2020, Rice University

 Low salinity water flooding (LSWF) has been recognized as a promising method for improving and sustaining oil production due to its cost-effectiveness and low environmental… (more)

Subjects/Keywords: Low salinity water flooding; Molecular dynamics simulations; Potential determining ions; oil snap-off.

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APA (6th Edition):

Al Hosani, M. (2020). Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/108637

Chicago Manual of Style (16th Edition):

Al Hosani, Mohamed. “Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation.” 2020. Doctoral Dissertation, Rice University. Accessed July 15, 2020. http://hdl.handle.net/1911/108637.

MLA Handbook (7th Edition):

Al Hosani, Mohamed. “Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation.” 2020. Web. 15 Jul 2020.

Vancouver:

Al Hosani M. Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation. [Internet] [Doctoral dissertation]. Rice University; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1911/108637.

Council of Science Editors:

Al Hosani M. Impact of Low Salinity Flooding on Interfacial Properties between Oil/Brine/Calcite : Molecular Scale Investigation. [Doctoral Dissertation]. Rice University; 2020. Available from: http://hdl.handle.net/1911/108637


Rice University

8. White, Ian G. Computational dynamics of fermion and spin systems.

Degree: PhD, Natural Sciences, 2020, Rice University

 The study of quantum dynamics is an increasingly important aspect of atomic, molecular and optical physics, as well as condensed-matter physics and other disciplines. It… (more)

Subjects/Keywords: Computational physics; Dynamics; Quantum quench; Ising model; Fermi-Hubbard model; Atomic, molecular, and optical physics; Numerical linked cluster expansion

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APA (6th Edition):

White, I. G. (2020). Computational dynamics of fermion and spin systems. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/108436

Chicago Manual of Style (16th Edition):

White, Ian G. “Computational dynamics of fermion and spin systems.” 2020. Doctoral Dissertation, Rice University. Accessed July 15, 2020. http://hdl.handle.net/1911/108436.

MLA Handbook (7th Edition):

White, Ian G. “Computational dynamics of fermion and spin systems.” 2020. Web. 15 Jul 2020.

Vancouver:

White IG. Computational dynamics of fermion and spin systems. [Internet] [Doctoral dissertation]. Rice University; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1911/108436.

Council of Science Editors:

White IG. Computational dynamics of fermion and spin systems. [Doctoral Dissertation]. Rice University; 2020. Available from: http://hdl.handle.net/1911/108436


Rice University

9. Abella, Jayvee Ralph. Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems.

Degree: PhD, Engineering, 2020, Rice University

 Peptide-MHC (pMHC) complexes are central components of the immune system, and understanding the mechanism behind stable pMHC binding will aid the development of immunotherapies. Stable… (more)

Subjects/Keywords: peptide-MHC binding; docking; machine learning; molecular dynamics; markov state model; simulation; random forests prediction

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APA (6th Edition):

Abella, J. R. (2020). Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems. (Doctoral Dissertation). Rice University. Retrieved from http://hdl.handle.net/1911/108385

Chicago Manual of Style (16th Edition):

Abella, Jayvee Ralph. “Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems.” 2020. Doctoral Dissertation, Rice University. Accessed July 15, 2020. http://hdl.handle.net/1911/108385.

MLA Handbook (7th Edition):

Abella, Jayvee Ralph. “Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems.” 2020. Web. 15 Jul 2020.

Vancouver:

Abella JR. Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems. [Internet] [Doctoral dissertation]. Rice University; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1911/108385.

Council of Science Editors:

Abella JR. Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems. [Doctoral Dissertation]. Rice University; 2020. Available from: http://hdl.handle.net/1911/108385


University of Western Ontario

10. Afrasiabian, Navid. The journey of a single polymer chain to a nanopore.

Degree: 2020, University of Western Ontario

 Single chain translocation has been eagerly studied for more than two decades due to its importance in biological processes and also, providing a better understanding… (more)

Subjects/Keywords: polymer translocation; polymer capture; capture radius; pulley effect; molecular dynamics; lattice-Boltzmann; Statistical, Nonlinear, and Soft Matter Physics

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APA (6th Edition):

Afrasiabian, N. (2020). The journey of a single polymer chain to a nanopore. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/6966

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):

Afrasiabian, Navid. “The journey of a single polymer chain to a nanopore.” 2020. Thesis, University of Western Ontario. Accessed July 15, 2020. https://ir.lib.uwo.ca/etd/6966.

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

MLA Handbook (7th Edition):

Afrasiabian, Navid. “The journey of a single polymer chain to a nanopore.” 2020. Web. 15 Jul 2020.

Vancouver:

Afrasiabian N. The journey of a single polymer chain to a nanopore. [Internet] [Thesis]. University of Western Ontario; 2020. [cited 2020 Jul 15]. Available from: https://ir.lib.uwo.ca/etd/6966.

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

Council of Science Editors:

Afrasiabian N. The journey of a single polymer chain to a nanopore. [Thesis]. University of Western Ontario; 2020. Available from: https://ir.lib.uwo.ca/etd/6966

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


Delft University of Technology

11. Jamali, S.H. Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations.

Degree: 2020, Delft University of Technology

 Knowledge on transport properties of fluids is of great interest for process and product design development in the chemical, food, pharmaceutical, and biotechnological industry. In… (more)

Subjects/Keywords: molecular simulation; molecular dynamics; transport properties; finite-size effects; force field

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APA (6th Edition):

Jamali, S. H. (2020). Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations. (Doctoral Dissertation). Delft University of Technology. Retrieved from http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; c32e495d-5dd9-42f8-9203-b540e1f9f175 ; 10.4233/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:isbn:978-94-6366-256-7 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175

Chicago Manual of Style (16th Edition):

Jamali, S H. “Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations.” 2020. Doctoral Dissertation, Delft University of Technology. Accessed July 15, 2020. http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; c32e495d-5dd9-42f8-9203-b540e1f9f175 ; 10.4233/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:isbn:978-94-6366-256-7 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175.

MLA Handbook (7th Edition):

Jamali, S H. “Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations.” 2020. Web. 15 Jul 2020.

Vancouver:

Jamali SH. Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations. [Internet] [Doctoral dissertation]. Delft University of Technology; 2020. [cited 2020 Jul 15]. Available from: http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; c32e495d-5dd9-42f8-9203-b540e1f9f175 ; 10.4233/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:isbn:978-94-6366-256-7 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175.

Council of Science Editors:

Jamali SH. Transport Properties of Fluids: Methodology and Force Field Improvement using Molecular Dynamics Simulations. [Doctoral Dissertation]. Delft University of Technology; 2020. Available from: http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; c32e495d-5dd9-42f8-9203-b540e1f9f175 ; 10.4233/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; urn:isbn:978-94-6366-256-7 ; urn:NBN:nl:ui:24-uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175 ; http://resolver.tudelft.nl/uuid:c32e495d-5dd9-42f8-9203-b540e1f9f175


McMaster University

12. Li, Dongyang. Molecular simulation for physicochemical properties of liquid mixtures with industrial applications.

Degree: PhD, 2020, McMaster University

 Liquid mixture is everywhere in the chemical industry and widely studied by researchers. An accurate prediction of its physicochemical property is of vital importance in… (more)

Subjects/Keywords: Molecular Dynamics; Polymer; Thermodynamics; Azeotrope; Plasticizer; Design Parameters

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APA (6th Edition):

Li, D. (2020). Molecular simulation for physicochemical properties of liquid mixtures with industrial applications. (Doctoral Dissertation). McMaster University. Retrieved from http://hdl.handle.net/11375/25380

Chicago Manual of Style (16th Edition):

Li, Dongyang. “Molecular simulation for physicochemical properties of liquid mixtures with industrial applications.” 2020. Doctoral Dissertation, McMaster University. Accessed July 15, 2020. http://hdl.handle.net/11375/25380.

MLA Handbook (7th Edition):

Li, Dongyang. “Molecular simulation for physicochemical properties of liquid mixtures with industrial applications.” 2020. Web. 15 Jul 2020.

Vancouver:

Li D. Molecular simulation for physicochemical properties of liquid mixtures with industrial applications. [Internet] [Doctoral dissertation]. McMaster University; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/11375/25380.

Council of Science Editors:

Li D. Molecular simulation for physicochemical properties of liquid mixtures with industrial applications. [Doctoral Dissertation]. McMaster University; 2020. Available from: http://hdl.handle.net/11375/25380


University of Notre Dame

13. Taylor R. Quinn. Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>.

Degree: Chemistry and Biochemistry, 2020, University of Notre Dame

  In this thesis, I will primarily discuss how molecular dynamics simulations of the transition state of PmHMGR compared to ground state simulations facilitated the… (more)

Subjects/Keywords: Enzymes; Computational Chemistry; Epigenetics; Catalysis; Molecular Dynamics; Density Functional Theory

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APA (6th Edition):

Quinn, T. R. (2020). Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>. (Thesis). University of Notre Dame. Retrieved from https://curate.nd.edu/show/73666398x1n

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):

Quinn, Taylor R.. “Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>.” 2020. Thesis, University of Notre Dame. Accessed July 15, 2020. https://curate.nd.edu/show/73666398x1n.

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

MLA Handbook (7th Edition):

Quinn, Taylor R.. “Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>.” 2020. Web. 15 Jul 2020.

Vancouver:

Quinn TR. Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>. [Internet] [Thesis]. University of Notre Dame; 2020. [cited 2020 Jul 15]. Available from: https://curate.nd.edu/show/73666398x1n.

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

Council of Science Editors:

Quinn TR. Microsecond Simulations of the PmHMGR Second Hydride Transfer Transition State and Investigations into Molecule and Enzyme Dynamics</h1>. [Thesis]. University of Notre Dame; 2020. Available from: https://curate.nd.edu/show/73666398x1n

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


Georgia Tech

14. Ashokan, Ajith. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.

Degree: PhD, Chemistry and Biochemistry, 2020, Georgia Tech

 Over the past two decades, π-conjugated organic molecules have found applications in the active layer of different types of organic electronic devices. To optimize and… (more)

Subjects/Keywords: Morphology; Molecular dynamics simulations; Polymer; Non-fullerene Acceptor; DFT Calculations; Bandstructure; Co-crystals

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APA (6th Edition):

Ashokan, A. (2020). Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62748

Chicago Manual of Style (16th Edition):

Ashokan, Ajith. “Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.” 2020. Doctoral Dissertation, Georgia Tech. Accessed July 15, 2020. http://hdl.handle.net/1853/62748.

MLA Handbook (7th Edition):

Ashokan, Ajith. “Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals.” 2020. Web. 15 Jul 2020.

Vancouver:

Ashokan A. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. [Internet] [Doctoral dissertation]. Georgia Tech; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1853/62748.

Council of Science Editors:

Ashokan A. Geometric, Electronic and Optical Properties of Organic Charge Transfer Systems: Photovoltaic Blends and Donor-Acceptor Co-crystals. [Doctoral Dissertation]. Georgia Tech; 2020. Available from: http://hdl.handle.net/1853/62748


University of Victoria

15. Brodie, Nicholas I. The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations.

Degree: Department of Biochemistry and Microbiology, 2020, University of Victoria

 In Parkinson’s disease and other Lewy Body disorders, aggregation of the protein α-synuclein results in the degeneration of nervous tissue. Under normal conditions, the α-synuclein… (more)

Subjects/Keywords: Synuclein; Discrete Molecular Dynamics; Crosslinking; Structural Proteomics; Surface Modification; Intrinsically Disordered Protein; Protein Modelling; Protein Crosslinking; Photoreactive Protein Crosslinkers

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APA (6th Edition):

Brodie, N. I. (2020). The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations. (Thesis). University of Victoria. Retrieved from http://hdl.handle.net/1828/11628

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):

Brodie, Nicholas I. “The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations.” 2020. Thesis, University of Victoria. Accessed July 15, 2020. http://hdl.handle.net/1828/11628.

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

MLA Handbook (7th Edition):

Brodie, Nicholas I. “The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations.” 2020. Web. 15 Jul 2020.

Vancouver:

Brodie NI. The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations. [Internet] [Thesis]. University of Victoria; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1828/11628.

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

Council of Science Editors:

Brodie NI. The structure of the native α-synuclein ensemble determined using a combination of structural proteomics and discrete molecular dynamics simulations. [Thesis]. University of Victoria; 2020. Available from: http://hdl.handle.net/1828/11628

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


University of Western Ontario

16. Bagheripoor, Mahdi. Incipient deformation of small volumes of fcc metals.

Degree: 2020, University of Western Ontario

 In the area of mechanics of materials, the classic theories cannot describe the material behaviour as the volume of deformation or sample size is small… (more)

Subjects/Keywords: Small scale plasticity; Nanoindentation; Crystallographic orientation; pre-existing faults; Grain boundaries; Dislocation nucleation; Taylor hardening; Dislocation starvation; Dislocation exhaustion; Molecular dynamics simulation; Computational Engineering; Mechanics of Materials

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APA (6th Edition):

Bagheripoor, M. (2020). Incipient deformation of small volumes of fcc metals. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/6835

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):

Bagheripoor, Mahdi. “Incipient deformation of small volumes of fcc metals.” 2020. Thesis, University of Western Ontario. Accessed July 15, 2020. https://ir.lib.uwo.ca/etd/6835.

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

MLA Handbook (7th Edition):

Bagheripoor, Mahdi. “Incipient deformation of small volumes of fcc metals.” 2020. Web. 15 Jul 2020.

Vancouver:

Bagheripoor M. Incipient deformation of small volumes of fcc metals. [Internet] [Thesis]. University of Western Ontario; 2020. [cited 2020 Jul 15]. Available from: https://ir.lib.uwo.ca/etd/6835.

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

Council of Science Editors:

Bagheripoor M. Incipient deformation of small volumes of fcc metals. [Thesis]. University of Western Ontario; 2020. Available from: https://ir.lib.uwo.ca/etd/6835

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


University of Hawaii

17. Thomas, Aaron Michael. Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams.

Degree: 2020, University of Hawaii

Subjects/Keywords: Physical chemistry; Chemistry; Astrochemistry; Crossed Molecular Beams; Reaction Dynamics

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APA (6th Edition):

Thomas, A. M. (2020). Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams. (Thesis). University of Hawaii. Retrieved from http://hdl.handle.net/10125/66260

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):

Thomas, Aaron Michael. “Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams.” 2020. Thesis, University of Hawaii. Accessed July 15, 2020. http://hdl.handle.net/10125/66260.

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

MLA Handbook (7th Edition):

Thomas, Aaron Michael. “Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams.” 2020. Web. 15 Jul 2020.

Vancouver:

Thomas AM. Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams. [Internet] [Thesis]. University of Hawaii; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10125/66260.

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

Council of Science Editors:

Thomas AM. Reaction Dynamics in Extreme Environments Explored by Crossed Molecular Beams. [Thesis]. University of Hawaii; 2020. Available from: http://hdl.handle.net/10125/66260

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


University of Saskatchewan

18. Malakkal, Linu 1986-. ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS.

Degree: 2020, University of Saskatchewan

 The tragic nuclear accident at the Fukushima-Daiichi power station in Japan brought in to our attention the risk associated with the current design of reactors… (more)

Subjects/Keywords: Nuclear Fuel; Ab initio simulation; SPS; Molecular Dynamics; Thermal conductivity; Thorium dioxide; Accident tolerant fuel.

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APA (6th Edition):

Malakkal, L. 1. (2020). ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS. (Thesis). University of Saskatchewan. Retrieved from http://hdl.handle.net/10388/12673

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):

Malakkal, Linu 1986-. “ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS.” 2020. Thesis, University of Saskatchewan. Accessed July 15, 2020. http://hdl.handle.net/10388/12673.

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

MLA Handbook (7th Edition):

Malakkal, Linu 1986-. “ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS.” 2020. Web. 15 Jul 2020.

Vancouver:

Malakkal L1. ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS. [Internet] [Thesis]. University of Saskatchewan; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10388/12673.

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

Council of Science Editors:

Malakkal L1. ATOMISTIC AND EXPERIMENTAL DETERMINATION OF THE STRUCTURAL AND THERMOPHYSICAL PROPERTIES OF THE ACCIDENT TOLERANT FUEL MATERIALS. [Thesis]. University of Saskatchewan; 2020. Available from: http://hdl.handle.net/10388/12673

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


University of Gothenburg / Göteborgs Universitet

19. Henry, Léocadie. Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering.

Degree: 2020, University of Gothenburg / Göteborgs Universitet

 Proteins fold in very specific three-dimensional structures within a few seconds. Highly complex and organized, their three-dimensional structure is closely related and often essential for… (more)

Subjects/Keywords: Time-resolved X-ray scattering; Molecular dynamics; Protein structural dynamics; Blue-light photoreceptors; Folding

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APA (6th Edition):

Henry, L. (2020). Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering. (Thesis). University of Gothenburg / Göteborgs Universitet. Retrieved from http://hdl.handle.net/2077/63085

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):

Henry, Léocadie. “Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering.” 2020. Thesis, University of Gothenburg / Göteborgs Universitet. Accessed July 15, 2020. http://hdl.handle.net/2077/63085.

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

MLA Handbook (7th Edition):

Henry, Léocadie. “Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering.” 2020. Web. 15 Jul 2020.

Vancouver:

Henry L. Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering. [Internet] [Thesis]. University of Gothenburg / Göteborgs Universitet; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/2077/63085.

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

Council of Science Editors:

Henry L. Protein Structural Dynamics Revealed by Time-Resolved X-ray Solution Scattering. [Thesis]. University of Gothenburg / Göteborgs Universitet; 2020. Available from: http://hdl.handle.net/2077/63085

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


University of Washington

20. Liu, Yang. Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods.

Degree: PhD, 2020, University of Washington

 Biological molecules such as protein and DNA play critical roles in various cellular reactions and carry out essential biological functions. But the mechanisms of these… (more)

Subjects/Keywords: computational molecular modeling; DNA; mass spectrometry; molecular dynamics; peptide; structure elucidation; Chemistry; Computational chemistry; Analytical chemistry; Chemistry

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APA (6th Edition):

Liu, Y. (2020). Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods. (Doctoral Dissertation). University of Washington. Retrieved from http://hdl.handle.net/1773/45143

Chicago Manual of Style (16th Edition):

Liu, Yang. “Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods.” 2020. Doctoral Dissertation, University of Washington. Accessed July 15, 2020. http://hdl.handle.net/1773/45143.

MLA Handbook (7th Edition):

Liu, Yang. “Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods.” 2020. Web. 15 Jul 2020.

Vancouver:

Liu Y. Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods. [Internet] [Doctoral dissertation]. University of Washington; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1773/45143.

Council of Science Editors:

Liu Y. Structural Elucidation of Biomolecular Ions in the Gas Phase Using Novel Mass Spectrometric and Computational Methods. [Doctoral Dissertation]. University of Washington; 2020. Available from: http://hdl.handle.net/1773/45143


University of Waterloo

21. Lou, Xichen. Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules.

Degree: 2020, University of Waterloo

 The path integral formulation of quantum statistical mechanics [1] is widely used for formulating the partition function and diverse thermodynamic properties. The basic objective of… (more)

Subjects/Keywords: Path Integral Monte Carlo, Path Integral Molecular Dynamics, molecular simulation, quantum rotors; cluster-update algorithm; Quantum statistics; Monte Carlo method; Path integrals

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APA (6th Edition):

Lou, X. (2020). Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/15546

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):

Lou, Xichen. “Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules.” 2020. Thesis, University of Waterloo. Accessed July 15, 2020. http://hdl.handle.net/10012/15546.

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

MLA Handbook (7th Edition):

Lou, Xichen. “Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules.” 2020. Web. 15 Jul 2020.

Vancouver:

Lou X. Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules. [Internet] [Thesis]. University of Waterloo; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10012/15546.

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

Council of Science Editors:

Lou X. Hybrid Path Integral Monte Carlo/Molecular Dynamics Approach for the Simulation of Rigid Rotating and Translating Molecules. [Thesis]. University of Waterloo; 2020. Available from: http://hdl.handle.net/10012/15546

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

22. WANG ZHONGTING. SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS.

Degree: 2020, National University of Singapore

Subjects/Keywords: Scanning probe microscopy; Molecular dynamics; Lithium ion battery; Sodium ion battery

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APA (6th Edition):

ZHONGTING, W. (2020). SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS. (Thesis). National University of Singapore. Retrieved from https://scholarbank.nus.edu.sg/handle/10635/168801

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):

ZHONGTING, WANG. “SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS.” 2020. Thesis, National University of Singapore. Accessed July 15, 2020. https://scholarbank.nus.edu.sg/handle/10635/168801.

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

MLA Handbook (7th Edition):

ZHONGTING, WANG. “SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS.” 2020. Web. 15 Jul 2020.

Vancouver:

ZHONGTING W. SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS. [Internet] [Thesis]. National University of Singapore; 2020. [cited 2020 Jul 15]. Available from: https://scholarbank.nus.edu.sg/handle/10635/168801.

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

Council of Science Editors:

ZHONGTING W. SPM TECHNIQUES AND MD SIMULATION ON FUNCTIONAL PROPERTIES OF RECHARGEABLE BATTERY MATERIALS. [Thesis]. National University of Singapore; 2020. Available from: https://scholarbank.nus.edu.sg/handle/10635/168801

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

23. Yang, Alexander Hao. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.

Degree: PhD, Chemical Engineering, 2020, Vanderbilt University

 Lipid bilayers occupying the gel and fluid phases are examined using molecular dynamics simulation. Molecular dynamics simulations of gel-phase bilayers comprised of varying compositions of… (more)

Subjects/Keywords: molecular simulation; lipid bilayer; molecular dynamics

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APA (6th Edition):

Yang, A. H. (2020). Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://etd.library.vanderbilt.edu/available/etd-01162020-122119/ ;

Chicago Manual of Style (16th Edition):

Yang, Alexander Hao. “Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.” 2020. Doctoral Dissertation, Vanderbilt University. Accessed July 15, 2020. http://etd.library.vanderbilt.edu/available/etd-01162020-122119/ ;.

MLA Handbook (7th Edition):

Yang, Alexander Hao. “Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes.” 2020. Web. 15 Jul 2020.

Vancouver:

Yang AH. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. [Internet] [Doctoral dissertation]. Vanderbilt University; 2020. [cited 2020 Jul 15]. Available from: http://etd.library.vanderbilt.edu/available/etd-01162020-122119/ ;.

Council of Science Editors:

Yang AH. Molecular Simulation Studies of Lipid Bilayers and Biomolecular Coatings for Water Barrier and Biocompatibility Purposes. [Doctoral Dissertation]. Vanderbilt University; 2020. Available from: http://etd.library.vanderbilt.edu/available/etd-01162020-122119/ ;


Georgia Tech

24. Callaway, Connor Patrick. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.

Degree: PhD, Materials Science and Engineering, 2020, Georgia Tech

 Multicompartment micelles offer great potential for catalytic science, owing to their ability to sequester immobilized catalytic species into distinct chambers within the micelle. In multi-step… (more)

Subjects/Keywords: computational chemistry; catalysis science; simulation; molecular simulation; molecular dynamics; dissipative particle dynamics; DPD; micelle; micelle nanoreactor; multicompartment micelle; micelle morphology

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APA (6th Edition):

Callaway, C. P. (2020). Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/62734

Chicago Manual of Style (16th Edition):

Callaway, Connor Patrick. “Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.” 2020. Doctoral Dissertation, Georgia Tech. Accessed July 15, 2020. http://hdl.handle.net/1853/62734.

MLA Handbook (7th Edition):

Callaway, Connor Patrick. “Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation.” 2020. Web. 15 Jul 2020.

Vancouver:

Callaway CP. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. [Internet] [Doctoral dissertation]. Georgia Tech; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/1853/62734.

Council of Science Editors:

Callaway CP. Multiscale Modeling of Multicompartment Micelles: Influence of Triblock and Tetrablock Polymer Architecture on Morphological Variation. [Doctoral Dissertation]. Georgia Tech; 2020. Available from: http://hdl.handle.net/1853/62734

25. Bakker, Michael. Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate.

Degree: MSin Chemistry, Chemistry, 2020, Missouri State University

  Dependence on petroleum and petrochemical products is unsustainable as it is both a finite resource and environmentally hazardous. Biodiesel is a proposed alternative, but… (more)

Subjects/Keywords: biodiesel; density functional theory; direct dynamics; thermal decomposition; pyrolysis; fatty-acid methyl esters; methyl linoleate; temperature-accelerated molecular dynamics; Environmental Chemistry; Organic Chemistry; Physical Chemistry

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APA (6th Edition):

Bakker, M. (2020). Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate. (Masters Thesis). Missouri State University. Retrieved from https://bearworks.missouristate.edu/theses/3502

Chicago Manual of Style (16th Edition):

Bakker, Michael. “Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate.” 2020. Masters Thesis, Missouri State University. Accessed July 15, 2020. https://bearworks.missouristate.edu/theses/3502.

MLA Handbook (7th Edition):

Bakker, Michael. “Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate.” 2020. Web. 15 Jul 2020.

Vancouver:

Bakker M. Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate. [Internet] [Masters thesis]. Missouri State University; 2020. [cited 2020 Jul 15]. Available from: https://bearworks.missouristate.edu/theses/3502.

Council of Science Editors:

Bakker M. Improving Biodiesel Through Pyrolysis: Direct Dynamics Investigations into Thermal Decomposition of Methyl Linoleate. [Masters Thesis]. Missouri State University; 2020. Available from: https://bearworks.missouristate.edu/theses/3502


Virginia Commonwealth University

26. Wenzel, Harrison C. Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions.

Degree: MS, Engineering, 2020, Virginia Commonwealth University

  The use of a weaponized thermo-nuclear device in exo-atmospheric conditions would be of great impact on the material integrity of orbiting satellite infrastructure. Particular… (more)

Subjects/Keywords: Nuclear Detonation; Warm Dense Plasma; Satellite; GEANT4; Simulation; Molecular Dynamics; Dynamics and Dynamical Systems; Mechanics of Materials; Semiconductor and Optical Materials

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APA (6th Edition):

Wenzel, H. C. (2020). Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions. (Thesis). Virginia Commonwealth University. Retrieved from https://scholarscompass.vcu.edu/etd/6153

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):

Wenzel, Harrison C. “Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions.” 2020. Thesis, Virginia Commonwealth University. Accessed July 15, 2020. https://scholarscompass.vcu.edu/etd/6153.

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

MLA Handbook (7th Edition):

Wenzel, Harrison C. “Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions.” 2020. Web. 15 Jul 2020.

Vancouver:

Wenzel HC. Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions. [Internet] [Thesis]. Virginia Commonwealth University; 2020. [cited 2020 Jul 15]. Available from: https://scholarscompass.vcu.edu/etd/6153.

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

Council of Science Editors:

Wenzel HC. Generation of Warm Dense Plasma on Solar Panel Infrastructure in Exo-Atmospheric Conditions. [Thesis]. Virginia Commonwealth University; 2020. Available from: https://scholarscompass.vcu.edu/etd/6153

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


West Virginia University

27. Crawford, Brad. Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water.

Degree: PhD, Chemical and Biomedical Engineering, 2020, West Virginia University

  The structural, transport, and thermodynamic properties related to cellulose dissolution by tetrabutylphosphonium chloride (TBPCl) and tetrabutylphosphonium hydroxide (TBPH)-water mixtures have been calculated via molecular(more)

Subjects/Keywords: Molecular Dynamics Simulation; Ionic Liquid; Cellulose; Diffusion; Water; Biofuel; Biomass; Applied Statistics; Biochemical and Biomolecular Engineering; Complex Fluids; Numerical Analysis and Computation; Numerical Analysis and Scientific Computing; Other Chemical Engineering; Polymer Science; Probability; Programming Languages and Compilers; Transport Phenomena

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APA (6th Edition):

Crawford, B. (2020). Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water. (Doctoral Dissertation). West Virginia University. Retrieved from https://researchrepository.wvu.edu/etd/7641 ; https://doi.org/10.33915/etd.7641

Chicago Manual of Style (16th Edition):

Crawford, Brad. “Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water.” 2020. Doctoral Dissertation, West Virginia University. Accessed July 15, 2020. https://researchrepository.wvu.edu/etd/7641 ; https://doi.org/10.33915/etd.7641.

MLA Handbook (7th Edition):

Crawford, Brad. “Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water.” 2020. Web. 15 Jul 2020.

Vancouver:

Crawford B. Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water. [Internet] [Doctoral dissertation]. West Virginia University; 2020. [cited 2020 Jul 15]. Available from: https://researchrepository.wvu.edu/etd/7641 ; https://doi.org/10.33915/etd.7641.

Council of Science Editors:

Crawford B. Elucidating the Properties and Mechanism for Cellulose Dissolution in Tetrabutylphosphonium-Based Ionic Liquids using High Concentrations of Water. [Doctoral Dissertation]. West Virginia University; 2020. Available from: https://researchrepository.wvu.edu/etd/7641 ; https://doi.org/10.33915/etd.7641


University of Bath

28. Crean, Rory. Utilising molecular dynamics simulations to understand and engineer T-cell receptors.

Degree: PhD, 2020, University of Bath

 Approximately 90% of all therapeutic targets in the human proteome operate solely inside the cell, making them unavailable for recognition by antibodies which instead bind… (more)

Subjects/Keywords: TCR; pHLA; Molecular dynamics; affinity; free energy

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

APA (6th Edition):

Crean, R. (2020). Utilising molecular dynamics simulations to understand and engineer T-cell receptors. (Doctoral Dissertation). University of Bath. Retrieved from https://researchportal.bath.ac.uk/en/studentthesis/utilising-molecular-dynamics-simulations-to-understand-and-engineer-tcell-receptors(d8c626a7-9b6e-4e6f-8f2c-716b48d14b49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.805664

Chicago Manual of Style (16th Edition):

Crean, Rory. “Utilising molecular dynamics simulations to understand and engineer T-cell receptors.” 2020. Doctoral Dissertation, University of Bath. Accessed July 15, 2020. https://researchportal.bath.ac.uk/en/studentthesis/utilising-molecular-dynamics-simulations-to-understand-and-engineer-tcell-receptors(d8c626a7-9b6e-4e6f-8f2c-716b48d14b49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.805664.

MLA Handbook (7th Edition):

Crean, Rory. “Utilising molecular dynamics simulations to understand and engineer T-cell receptors.” 2020. Web. 15 Jul 2020.

Vancouver:

Crean R. Utilising molecular dynamics simulations to understand and engineer T-cell receptors. [Internet] [Doctoral dissertation]. University of Bath; 2020. [cited 2020 Jul 15]. Available from: https://researchportal.bath.ac.uk/en/studentthesis/utilising-molecular-dynamics-simulations-to-understand-and-engineer-tcell-receptors(d8c626a7-9b6e-4e6f-8f2c-716b48d14b49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.805664.

Council of Science Editors:

Crean R. Utilising molecular dynamics simulations to understand and engineer T-cell receptors. [Doctoral Dissertation]. University of Bath; 2020. Available from: https://researchportal.bath.ac.uk/en/studentthesis/utilising-molecular-dynamics-simulations-to-understand-and-engineer-tcell-receptors(d8c626a7-9b6e-4e6f-8f2c-716b48d14b49).html ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.805664


Columbia University

29. Hsu, Andrew. The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation.

Degree: 2020, Columbia University

 The biological functions of proteins often rely on structural changes and the rates at which these conformational changes occur. Studies show that regions of a… (more)

Subjects/Keywords: Biophysics; Biochemistry; Nuclear magnetic resonance spectroscopy; Molecular dynamics – Computer simulation

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

APA (6th Edition):

Hsu, A. (2020). The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation. (Doctoral Dissertation). Columbia University. Retrieved from https://doi.org/10.7916/d8-wphm-s774

Chicago Manual of Style (16th Edition):

Hsu, Andrew. “The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation.” 2020. Doctoral Dissertation, Columbia University. Accessed July 15, 2020. https://doi.org/10.7916/d8-wphm-s774.

MLA Handbook (7th Edition):

Hsu, Andrew. “The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation.” 2020. Web. 15 Jul 2020.

Vancouver:

Hsu A. The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation. [Internet] [Doctoral dissertation]. Columbia University; 2020. [cited 2020 Jul 15]. Available from: https://doi.org/10.7916/d8-wphm-s774.

Council of Science Editors:

Hsu A. The Critical Assessment of Protein Dynamics using Molecular Dynamics (MD) Simulations and Nuclear Magnetic Resonance (NMR) Spectroscopy Experimentation. [Doctoral Dissertation]. Columbia University; 2020. Available from: https://doi.org/10.7916/d8-wphm-s774


University of Canterbury

30. Pang, Shusheng. Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution.

Degree: 2020, University of Canterbury

 In order to find effective anti-ice nucleation agents, polyvinyl pyrrolidone (PVP) and polyvinyl alcohol (PVA) as additives in glycerin – water solution was froze and… (more)

Subjects/Keywords: Anti-ice nucleation agents; Nucleation temperature; Radial distribution function; Mean squared displacement; Molecular dynamics simulation; Field of Research::03 - Chemical Sciences::0303 - Macromolecular and Materials Chemistry; Field of Research::03 - Chemical Sciences::0306 - Physical Chemistry (incl. Structural)::030605 - Solution Chemistry

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

APA (6th Edition):

Pang, S. (2020). Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution. (Thesis). University of Canterbury. Retrieved from http://hdl.handle.net/10092/100209

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):

Pang, Shusheng. “Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution.” 2020. Thesis, University of Canterbury. Accessed July 15, 2020. http://hdl.handle.net/10092/100209.

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

MLA Handbook (7th Edition):

Pang, Shusheng. “Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution.” 2020. Web. 15 Jul 2020.

Vancouver:

Pang S. Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution. [Internet] [Thesis]. University of Canterbury; 2020. [cited 2020 Jul 15]. Available from: http://hdl.handle.net/10092/100209.

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

Council of Science Editors:

Pang S. Mechanism of ice nucleation inhibition of PVA and PVP in aqueous glycerin solution. [Thesis]. University of Canterbury; 2020. Available from: http://hdl.handle.net/10092/100209

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

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