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1.
Using Computer Simulation to Design New Polymers
by Luo, Miao, Ph.D.  Clarkson University. 2017: 90 pages; 10686044.
2.
Numerical and Computational Solutions for Biochemical Kinetics, Druggability, and Simulation
by Votapka, Lane William, Ph.D.  University of California, San Diego. 2016: 280 pages; 10062341.
3.
Tunable Surface Hydrophobicity and Fluid Transport through Nanoporous Membranes
by Ostrowski, Joseph H.J., Ph.D.  University of Colorado at Boulder. 2014: 109 pages; 3672475.
4.
Enhanced Sampling Development for Accessing Long Time Scale Protein Dynamics
by Pierce, Levi C. T., Ph.D.  University of California, San Diego. 2012: 115 pages; 3512482.
5.
Computational approaches to anti-toxin therapies and biomarker identification
by Swett, Rebecca Jane, Ph.D.  Wayne State University. 2013: 253 pages; 3601751.
6.
Computational Studies of Proteins: Dynamics and Interactions with Small Molecules
by Park, Min Sun, Ph.D.  University of Rochester. 2011: 109 pages; 3458547.
7.
Simulating Nucleic Acids from Nanoseconds to Microseconds
by Bascom, Gavin Dennis, Ph.D.  University of California, Irvine. 2014: 188 pages; 3631078.
8.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
10.
Improved conformational sampling methods for molecular dynamics simulations
by Okur, Asim, Ph.D.  State University of New York at Stony Brook. 2007: 183 pages; 3299725.
12.
Computational and pharmacological modeling of membrane proteins
by Babakhani, Arneh, Ph.D.  University of California, San Diego. 2009: 178 pages; 3352453.
14.
Single-file Transport through Carbon Nanotubes by Soliton Propagation
by Sisan, Thomas B., Ph.D.  Northwestern University. 2013: 242 pages; 3595735.
15.
Exploring Equilibrium Systems with Nonequilibrium Simulations
by Ballard, Andrew J., Ph.D.  University of Maryland, College Park. 2012: 145 pages; 3557636.
16.
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.
17.
Computer simulations of acetylcholinesterase inhibition by nerve agent soman
by Sirin, Gulseher Sarah, Ph.D.  New York University. 2013: 176 pages; 3557031.
18.
Molecular Simulations of Surfactant Interfaces
by Yoo, Brian, Ph.D.  University of Notre Dame. 2017: 138 pages; 13836470.
19.
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.
21.
Mechanical Properties of Semiconducting Polymers
by Root, Samuel E., Ph.D.  University of California, San Diego. 2018: 307 pages; 10745535.
23.
Surfactant Dynamics: Spreading and Wave Induced Dynamics of a Monolayer
by Strickland, Stephen Lee, Ph.D.  North Carolina State University. 2015: 215 pages; 10110541.
24.
Computational Investigation of Aromatic Oligoamide Foldamers
by Abramyan, Ara M., Ph.D.  University of the Sciences in Philadelphia. 2014: 113 pages; 3647091.
25.
Force field development with GOMC, a fast new Monte Carlo molecular simulation code
by Mick, Jason Richard, Ph.D.  Wayne State University. 2016: 171 pages; 10105010.
26.
Simulation Studies of Signaling and Regulatory Proteins
by Mohammadiarani, Hossein, Ph.D.  University of New Hampshire. 2017: 318 pages; 10685640.
27.
Entangled Polymer Rheology: Efficient Algorithms and Coarse-Graining of Slip-Link Model
by Taletskiy, Konstantin, Ph.D.  Illinois Institute of Technology. 2018: 157 pages; 10981358.
28.
Atomistic modeling and simulation of nanopolycrystalline solids
by Yang, Zidong, Ph.D.  The George Washington University. 2015: 210 pages; 3680325.
29.
Computational Characterization of Human Soluble Calcium-Activated Nucleotidase 1
by Rooklin, David, Ph.D.  New York University. 2012: 166 pages; 3524271.
30.
Molecular Level Studies on the Cannabinoid Receptor Type 1 (CB1): Biased Signaling and MD Simulations
by Al Zoubi, Rufaida M., Ph.D.  The University of North Carolina at Greensboro. 2018: 130 pages; 10751796.
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