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1.
Computer simulations of acetylcholinesterase inhibition by nerve agent soman
by Sirin, Gulseher Sarah, Ph.D.  New York University. 2013: 176 pages; 3557031.
2.
Computational Characterization of Human Soluble Calcium-Activated Nucleotidase 1
by Rooklin, David, Ph.D.  New York University. 2012: 166 pages; 3524271.
3.
Simulations of chemical catalysis
by Smith, Gregory K., Ph.D.  The University of New Mexico. 2013: 277 pages; 3612623.
4.
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.
6.
An Analysis of Artificial Rhodopsin Mimics Using Multiconfigurational Ab Initio Computations
by Huntress, Mark, Ph.D.  Bowling Green State University. 2012: 120 pages; 10631092.
9.
Fragment-Based Excitonic Coupled-Cluster Theory for Large Chemical Systems
by Liu, Yuhong, Ph.D.  University of the Pacific. 2017: 164 pages; 10681118.
10.
Decomposition of Intermolecular Interactions in ab initio Spectroscopy
by Berquist, Eric John, Ph.D.  University of Pittsburgh. 2018: 290 pages; 11003760.
12.
Computer-Aided Identification of New DNA Gyrase Inhibitors with Activity against Staphylococcus aureus
by Werner, Malela Mwamufiya, Ph.D.  University of the Sciences in Philadelphia. 2014: 143 pages; 3647093.
13.
Regulation by phosphorylation from an atomic perspective
by Narayanan, Arjun, Ph.D.  University of California, San Francisco. 2009: 156 pages; 3390105.
15.
Probing the early stages of polyglutamine aggregation with computational methods
by Vitalis, Andreas, Ph.D.  Washington University in St. Louis. 2009: 386 pages; 3359878.
16.
Fully Fledged Frozen Dihedral Approach to Compute Tunneling Ready State Structures and Gating Coordinate
by Sakhaee, Nader, M.S.  Southern Illinois University at Edwardsville. 2018: 61 pages; 10843953.
17.
18.
Force Field Development for Ferrocene and the Prediction of Enantioselectivity
by Berkel, Neil T., M.S.  University of Notre Dame. 2017: 155 pages; 13836474.
19.
Identification and Characterization of Protein-Ligand Binding Modes via Molecular Dynamics
by Bremer, Parker Ladd, M.S.  California State University, Long Beach. 2019: 81 pages; 13859447.
20.
Investigating Butyrylcholinesterase Inhibition via Molecular Mechanics
by Alvarado, Walter, M.S.  California State University, Long Beach. 2017: 90 pages; 10639439.
21.
Synthesis, Characterization and Electrochemistry of the Ruthenium Schiff Base Complex [(Saloph)Ru(NO)Cl]
by Fadamin, Arghavan, M.S.  Southern Illinois University at Edwardsville. 2017: 101 pages; 10616856.
22.
The Role of Polynuclear Aromatic Hydrocarbons in Soot Formation: A Theoretical and Experimental Study
by Herdman, Jennifer Dolan, Ph.D.  The George Washington University. 2012: 237 pages; 3502769.
23.
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.
24.
Understanding the Intrinsic Electrochemistry of Ni-Rich Layered Cathodes
by Sallis, Shawn, Ph.D.  State University of New York at Binghamton. 2017: 123 pages; 10689173.
25.
Mechanistic studies on the methionine aminopeptidase and peptide deformylase catalyzed reactions
by Sule, Nitesh Vivekananda, Ph.D.  North Dakota State University. 2013: 273 pages; 3603988.
26.
Computational and experimental investigation of allosteric communication in the transcriptional regulator NikR
by Bradley, Michael John, Ph.D.  Washington University in St. Louis. 2009: 202 pages; 3387550.
28.
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.
29.
Electrochemical and Spectroelectrochemical Investigations into Derivatives of Ruthenium Nitrosyl Schiff Base and Porphyrin Complexes
by Ramuglia, Anthony, M.S.  Southern Illinois University at Edwardsville. 2018: 109 pages; 13420342.
30.
Computational Studies of Proteins: Dynamics and Interactions with Small Molecules
by Park, Min Sun, Ph.D.  University of Rochester. 2011: 109 pages; 3458547.
1 - 30 of 52 displayed.
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