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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.
3.
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.
4.
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.
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Computational and pharmacological modeling of membrane proteins
by Babakhani, Arneh, Ph.D.  University of California, San Diego. 2009: 178 pages; 3352453.
10.
Integrating conformational and protonation equilibria in biomolecular modeling
by Kim, Meekyum Olivia, Ph.D.  University of California, San Diego. 2015: 192 pages; 3709257.
11.
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.
Atomistic modeling and simulation of nanopolycrystalline solids
by Yang, Zidong, Ph.D.  The George Washington University. 2015: 210 pages; 3680325.
13.
Modeling, simulation, synthesis, and optimization of biochemical networks
by Vander Velden, Kent Allan, Ph.D.  Iowa State University. 2009: 3349650.
14.
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.
15.
Molecular Recognition Involving Anthraquinone Derivatives and Molecular Clips
by Alaparthi, Madhubabu, Ph.D.  University of South Dakota. 2017: 138 pages; 10285748.
17.
Modeling Nonlinear Behavior of Dynamic Biological Systems
by Masnadi-Shirazi, Maryam, Ph.D.  University of California, San Diego. 2018: 165 pages; 10790083.
18.
Computational physical modeling and design of protein -DNA interactions
by Ashworth, Justin, Ph.D.  University of Washington. 2009: 133 pages; 3394201.
19.
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.
20.
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.
21.
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.
22.
Exploring Non-Equilibrium Physics of Polyelectrolyte Complexes via X-ray, Neutron, Imaging, and Modeling
by Wu, Hao, Ph.D.  The University of Chicago. 2019: 256 pages; 22583513.
23.
Gβγ acts at an inter-subunit cleft to activate GIRK1 channels
by Mahajan, Rahul, Ph.D.  Virginia Commonwealth University. 2014: 105 pages; 3614785.
24.
Characterization and modeling of light activated shape memory polymer
by Beblo, Richard Vincent, Ph.D.  University of Pittsburgh. 2010: 217 pages; 3417440.
26.
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.
29.
Mapping and modeling X-ray diffuse scattering from protein crystals
by Van Benschoten, Andrew Holland, Ph.D.  University of California, San Francisco. 2015: 119 pages; 3714309.
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