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31.
Computational Studies of Proteins: Dynamics and Interactions with Small Molecules
by Park, Min Sun, Ph.D.  University of Rochester. 2011: 109 pages; 3458547.
32.
Molecular Simulations of Surfactant Interfaces
by Yoo, Brian, Ph.D.  University of Notre Dame. 2017: 138 pages; 13836470.
33.
Toward a Molecular Mechanism of Phase Separation in Disordered Elastin-Like Proteins
by Zhang, Yue, Ph.D.  Mississippi State University. 2017: 152 pages; 10643225.
34.
Ultrafast Molecular Dynamics Studied with Vacuum Ultraviolet Pulses
by Wright, Travis William, Ph.D.  University of California, Davis. 2015: 178 pages; 10036240.
35.
Applications of Molecular Theory in Solvation of Pharmaceutical Solutes, Ions and Amine-Grafted Silica Gel
by Sheng, Shijie, Ph.D.  University of California, Riverside. 2017: 147 pages; 10684967.
36.
Tuning the Photochemical Reactivity of Electrocyclic Reactions: A Non-adiabatic Molecular Dynamics Study
by Thompson, Travis W., M.S.  California State University, Long Beach. 2018: 70 pages; 10839950.
37.
Simulation and analysis of cadmium sulfide nanoparticles
by Junkermeier, Chad, Ph.D.  Brigham Young University. 2008: 122 pages; 3345037.
38.
Photoionizaion as a Probe of Ultrafast Molecular Dynamics
by Horton, Spencer Lourdes, Ph.D.  State University of New York at Stony Brook. 2018: 190 pages; 10932704.
39.
Computational modeling of structural dynamics and energetics of two allosteric proteins: Kinesins and Acetylcholine Receptors
by Chakraborty, Srirupa, Ph.D.  State University of New York at Buffalo. 2017: 236 pages; 10242471.
40.
Strong field dynamics and control of molecular dissociation
by Nichols, Sarah Roxanna, Ph.D.  State University of New York at Stony Brook. 2008: 89 pages; 3358207.
41.
Simulating Nucleic Acids from Nanoseconds to Microseconds
by Bascom, Gavin Dennis, Ph.D.  University of California, Irvine. 2014: 188 pages; 3631078.
43.
A proposed mechanical-metabolic model of the human red blood cell
by Oursler, Stephen Mark, M.S.  University of Maryland, College Park. 2014: 235 pages; 1561025.
44.
Tunneling in Molecular Magnets
by Vijayaraghavan, Avinash, Ph.D.  Northwestern University. 2011: 153 pages; 3453449.
45.
Study of Complexation of Transition Metals Using Dissipative Particle Dynamics and its Application to Real System
by Kumar, Ravish, M.S.  Rutgers The State University of New Jersey - New Brunswick. 2017: 55 pages; 10752946.
46.
The structural heterogeneity and dynamics of base stacking and unstacking in nucleic acids
by Sedova, Ada, Ph.D.  State University of New York at Albany. 2015: 241 pages; 3704807.
47.
Exploring and Sampling on High Dimensional Free Energy Surfaces
by Chen, Ming, Ph.D.  New York University. 2016: 183 pages; 10025680.
48.
Modeling, simulation, synthesis, and optimization of biochemical networks
by Vander Velden, Kent Allan, Ph.D.  Iowa State University. 2009: 3349650.
49.
Fast Scanning Calorimetry Studies of Molecular Dynamics in Crystals, Liquids, and Glasses
by Cubeta, Ulyana Sorokopoud, Ph.D.  The George Washington University. 2018: 188 pages; 10784918.
51.
Computational approaches to anti-toxin therapies and biomarker identification
by Swett, Rebecca Jane, Ph.D.  Wayne State University. 2013: 253 pages; 3601751.
52.
Discovering the Molecular Origins of Solid-Liquid Friction at ICE-Ih/Water Interfaces
by Louden, Patrick B., Ph.D.  University of Notre Dame. 2018: 205 pages; 13836451.
53.
Ultrafast Dynamics of Carbon Dioxide in Imidazolium Ionic Liquids
by Brinzer, Thomas, Ph.D.  University of Pittsburgh. 2018: 234 pages; 11003764.
54.
The Structural Hierarchy and Mechanical Properties of Fibrin Described with a Multi-scale Model
by Hudson, Nathan E., Ph.D.  The University of North Carolina at Chapel Hill. 2011: 254 pages; 3477557.
55.
Simulating Nonlinear X-ray Spectroscopy: Electron dynamics on ultrashort time and length-scales
by Healion, Daniel M., Ph.D.  University of California, Irvine. 2012: 224 pages; 3494322.
56.
Development of Computer Aided Drug Design Algorithms and Application to the APOBEC3 Family of Proteins
by Wagner, Jeffrey Robert Rothfeld, Ph.D.  University of California, San Diego. 2018: 143 pages; 10747265.
57.
The Importance of Thermal Expansion in the Simulation of Molecular Crystals
by McKinley, Jessica Lynee, Ph.D.  University of California, Riverside. 2019: 263 pages; 13896940.
58.
Computational Studies of Protein-Inhibitor Interactions
by Mohammadi, Mohammadjavad, Ph.D.  University of New Hampshire. 2019: 258 pages; 13885097.
60.
Contributions towards the theory of the bottom-up coarse-graining of complex molecules
by Dama, James Farris, Ph.D.  The University of Chicago. 2016: 372 pages; 10129649.
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