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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.
Molecular Level Modeling of Batteries
by Basu, Swastik, Ph.D.  Rensselaer Polytechnic Institute. 2019: 135 pages; 22622155.
3.
Multiscale Modeling of Fracture in 2D Material
by Robert, Kerlin Pravinna, Ph.D.  The George Washington University. 2020: 124 pages; 27832010.
5.
SCFA-hexosamines: Understanding anti-cancer mechanisms through chemical biology and molecular modeling
by Meledeo, Michael Adam, Ph.D.  The Johns Hopkins University. 2009: 119 pages; 3410194.
6.
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.
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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.
12.
Advancements in Quantum Statistical Mechanics: Modeling Hydrogen Diffusion in sII Clathrate Hydrates
by Cendagorta, Joseph R., Ph.D.  New York University. 2020: 254 pages; 28088352.
14.
Coarse-Grained Modeling of Interactions of Nanoparticles with Lipid Membranes
by Patel, Parva Kishorkumar, M.S.  Rutgers The State University of New Jersey, School of Graduate Studies. 2019: 41 pages; 13860229.
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Simulated Annealing of Molecular Clusters in Python
by Thapar, Armaan, M.E.  University of Connecticut. 2020: 113 pages; 28263454.
20.
Computational and pharmacological modeling of membrane proteins
by Babakhani, Arneh, Ph.D.  University of California, San Diego. 2009: 178 pages; 3352453.
21.
Atomistic modeling and simulation of nanopolycrystalline solids
by Yang, Zidong, Ph.D.  The George Washington University. 2015: 210 pages; 3680325.
22.
Modeling, simulation, synthesis, and optimization of biochemical networks
by Vander Velden, Kent Allan, Ph.D.  Iowa State University. 2009: 3349650.
23.
Ab Initio Modeling of the Electronic Absorption Spectrum of Previtamin D in Solution
by Zhu, Tianyang, M.S.  California State University, Long Beach. 2017: 80 pages; 10265071.
24.
Integrating conformational and protonation equilibria in biomolecular modeling
by Kim, Meekyum Olivia, Ph.D.  University of California, San Diego. 2015: 192 pages; 3709257.
25.
Characterization and modeling of light activated shape memory polymer
by Beblo, Richard Vincent, Ph.D.  University of Pittsburgh. 2010: 217 pages; 3417440.
26.
Molecular Recognition Involving Anthraquinone Derivatives and Molecular Clips
by Alaparthi, Madhubabu, Ph.D.  University of South Dakota. 2017: 138 pages; 10285748.
27.
Computational physical modeling and design of protein -DNA interactions
by Ashworth, Justin, Ph.D.  University of Washington. 2009: 133 pages; 3394201.
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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.
30.
Machine Learning and Network-Based Systems Toxicology Modeling of Chemotherapy-Induced Peripheral Neuropathy
by Bloomingdale, Peter, Ph.D.  State University of New York at Buffalo. 2018: 353 pages; 13427432.
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