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1.
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.
2.
Monte Carlo Simulations for Phase Equilibria and Software Development
by Marin-Rimoldi, Eliseo T., Ph.D.  University of Notre Dame. 2017: 135 pages; 13836282.
3.
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.
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.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
6.
Using Computer Simulation to Design New Polymers
by Luo, Miao, Ph.D.  Clarkson University. 2017: 90 pages; 10686044.
7.
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.
8.
The formation of primordial protostars
by Turk, Matthew J., Ph.D.  Stanford University. 2009: 147 pages; 3364521.
9.
Computational and pharmacological modeling of membrane proteins
by Babakhani, Arneh, Ph.D.  University of California, San Diego. 2009: 178 pages; 3352453.
10.
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.
11.
Molecular Simulations of Surfactant Interfaces
by Yoo, Brian, Ph.D.  University of Notre Dame. 2017: 138 pages; 13836470.
13.
Computational approaches to anti-toxin therapies and biomarker identification
by Swett, Rebecca Jane, Ph.D.  Wayne State University. 2013: 253 pages; 3601751.
15.
Modeling, simulation, synthesis, and optimization of biochemical networks
by Vander Velden, Kent Allan, Ph.D.  Iowa State University. 2009: 3349650.
16.
Atomistic modeling and simulation of nanopolycrystalline solids
by Yang, Zidong, Ph.D.  The George Washington University. 2015: 210 pages; 3680325.
17.
Interfacial characteristics of propylene carbonate and validation of simulation models for electrochemical applications
by You, Xinli, Ph.D.  Tulane University School of Science and Engineering. 2014: 146 pages; 3680843.
18.
Simulating Nucleic Acids from Nanoseconds to Microseconds
by Bascom, Gavin Dennis, Ph.D.  University of California, Irvine. 2014: 188 pages; 3631078.
20.
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.
21.
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.
23.
A Systematic Property Based Approach for Molecular Synthesis Using Higher Order Molecular Groups and Molecular Descriptors
by Chemmangattuvalappil, Nishanth Gopalakrishnan, Ph.D.  Auburn University. 2010: 248 pages; 3446234.
24.
Simulation Studies of Signaling and Regulatory Proteins
by Mohammadiarani, Hossein, Ph.D.  University of New Hampshire. 2017: 318 pages; 10685640.
25.
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.
26.
Model systems for molecular docking: Understanding molecular recognition in polar and charged binding sites
by Boyce, Sarah Emily, Ph.D.  University of California, San Francisco. 2009: 257 pages; 3390113.
27.
Molecular dynamic simulation studies of the androgen receptor complexed with 5α-dihydrotestosterone and an allosteric ligand
by Villarreal, Everardo, II, M.S.  The University of Texas Rio Grande Valley. 2016: 47 pages; 10134056.
28.
Stability of Methane-Ethane-Propane Mixed Gas Hydrates under Deep Water Conditions
by Velaga, Srinath Chowdary, Ph.D.  West Virginia University. 2014: 152 pages; 3618152.
29.
Computational Analysis of Protein Intrinsic Disorder in Human Diseases
by Na, Insung, Ph.D.  University of South Florida. 2017: 188 pages; 10603424.
30.
Ab initio Molecular Dynamics Simulations to Understand Speciation and Solvation Structure of Common Herbicides
by Windom, Zachary W., M.S.  Mississippi State University. 2018: 95 pages; 10980547.
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