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1.
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.
2.
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.
3.
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.
4.
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.
5.
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.
7.
Simulation Studies of Signaling and Regulatory Proteins
by Mohammadiarani, Hossein, Ph.D.  University of New Hampshire. 2017: 318 pages; 10685640.
9.
Toward a Molecular Mechanism of Phase Separation in Disordered Elastin-Like Proteins
by Zhang, Yue, Ph.D.  Mississippi State University. 2017: 152 pages; 10643225.
10.
Molecular Simulations of Surfactant Interfaces
by Yoo, Brian, Ph.D.  University of Notre Dame. 2017: 138 pages; 13836470.
11.
Monte Carlo Simulations for Phase Equilibria and Software Development
by Marin-Rimoldi, Eliseo T., Ph.D.  University of Notre Dame. 2017: 135 pages; 13836282.
12.
Computational Investigation of Aromatic Oligoamide Foldamers
by Abramyan, Ara M., Ph.D.  University of the Sciences in Philadelphia. 2014: 113 pages; 3647091.
13.
Molecular Level Modeling of Batteries
by Basu, Swastik, Ph.D.  Rensselaer Polytechnic Institute. 2019: 135 pages; 22622155.
14.
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.
15.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
16.
Event-Driven Molecular Dynamics Simulations of Protein Mixtures
by Cyran, Marek A., M.S.  Rochester Institute of Technology. 2011: 55 pages; 1492492.
17.
Molecular dynamics studies of metallic nanoparticles
by Henz, Brian John, Ph.D.  University of Maryland, College Park. 2009: 174 pages; 3359380.
19.
Molecular Dynamics Investigations of Duplex Columnar Liquid Crystal Phases of Nucleoside Triphosphates
by Yelk, Joseph D., Ph.D.  University of Colorado at Boulder. 2019: 90 pages; 22621555.
20.
22.
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.
23.
Using Computer Simulation to Design New Polymers
by Luo, Miao, Ph.D.  Clarkson University. 2017: 90 pages; 10686044.
24.
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.
25.
Simulation methods for spatiotemporal models of biochemical signaling networks
by Strychalski, Wanda, Ph.D.  The University of North Carolina at Chapel Hill. 2009: 116 pages; 3366478.
26.
Molecular Modeling of the Complexation of Proteins with Strong Anionic Polyelectrolytes
by Xu, Xiao, Ph.D.  Humboldt Universitaet zu Berlin (Germany). 2018: 139 pages; 13914100.
28.
Dense core formation and collapse in giant molecular clouds
by Gong, Hao, Ph.D.  University of Maryland, College Park. 2013: 185 pages; 3587424.
29.
Laser manipulation of atomic and molecular flows
by Lilly, Taylor C., Ph.D.  University of Southern California. 2010: 133 pages; 3418262.
30.
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.
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