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1.
Molecular Simulations of Surfactant Interfaces
by Yoo, Brian, Ph.D.  University of Notre Dame. 2017: 138 pages; 13836470.
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.
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.
4.
Event-Driven Molecular Dynamics Simulations of Protein Mixtures
by Cyran, Marek A., M.S.  Rochester Institute of Technology. 2011: 55 pages; 1492492.
6.
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.
7.
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.
Computer Simulation of Molecular Systems: Glycoproteins and Carbon Nanotubes with Ionic Liquid
by Bernardi, Austen Verbrugge, D.Engr.  University of California, Davis. 2020: 148 pages; 27667557.
13.
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.
14.
Computer Simulations of Cluster and Crystal Formation in Anisotropic Colloid-Droplet Mixtures
by Pham Van, Hai, Dr.Nat.  Universitaet Bayreuth (Germany). 2017: 120 pages; 10733818.
15.
Simulations of chemical catalysis
by Smith, Gregory K., Ph.D.  The University of New Mexico. 2013: 277 pages; 3612623.
16.
Computational Investigation of Aromatic Oligoamide Foldamers
by Abramyan, Ara M., Ph.D.  University of the Sciences in Philadelphia. 2014: 113 pages; 3647091.
17.
Computer simulations of acetylcholinesterase inhibition by nerve agent soman
by Sirin, Gulseher Sarah, Ph.D.  New York University. 2013: 176 pages; 3557031.
18.
Laser manipulation of atomic and molecular flows
by Lilly, Taylor C., Ph.D.  University of Southern California. 2010: 133 pages; 3418262.
19.
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.
20.
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.
21.
Using Computer Simulation to Design New Polymers
by Luo, Miao, Ph.D.  Clarkson University. 2017: 90 pages; 10686044.
23.
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.
24.
Exploring Equilibrium Systems with Nonequilibrium Simulations
by Ballard, Andrew J., Ph.D.  University of Maryland, College Park. 2012: 145 pages; 3557636.
25.
Dense core formation and collapse in giant molecular clouds
by Gong, Hao, Ph.D.  University of Maryland, College Park. 2013: 185 pages; 3587424.
27.
Molecular dynamics studies of metallic nanoparticles
by Henz, Brian John, Ph.D.  University of Maryland, College Park. 2009: 174 pages; 3359380.
28.
Molecular Dynamics Study of Polymers and Atomic Clusters
by Sponseller, Daniel Ray, Ph.D.  George Mason University. 2017: 137 pages; 10685723.
29.
Coarse-grained Simulations of Viral Assembly
by Elrad, Oren M., Ph.D.  Brandeis University. 2011: 127 pages; 3494429.
30.
Discovering the Molecular Origins of Solid-Liquid Friction at ICE-Ih/Water Interfaces
by Louden, Patrick B., Ph.D.  University of Notre Dame. 2018: 205 pages; 13836451.
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