Showing results (831-840 of 11,259) with videos related to
Sort By:
Pageof 1,126
Journal of Chemical Theory and Computation|April 17, 2018
The Molecular Mechanism Underlying Ligand Binding to the Membrane-Embedded Site of a G-Protein-Coupled ReceptorXiaojing Yuan, Stefano Raniolo, Vittorio Limongelli, et al.Journal of Chemical Theory and Computation|June 7, 2018
A Funneled Conformational Landscape Governs Flavivirus Fusion Peptide Interaction with Lipid MembranesJan K Marzinek, Nirmalya Bag, Roland G Huber, et al.Journal of Chemical Theory and Computation|May 31, 2018
Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical CalculationsTomas Bastys, Vytautas Gapsys, Nadezhda T Doncheva, et al.Journal of Chemical Theory and Computation|May 31, 2018
Massively Parallel Implementation of Divide-and-Conquer Jacobi Iterations Using Particle-Mesh Ewald for Force Field PolarizationDominique Nocito, Gregory J O BeranJournal of Chemical Theory and Computation|December 17, 2008
QM/MM Minimum Free Energy Path: Methodology and Application to Triosephosphate IsomeraseHao Hu, Zhenyu Lu, Weitao YangJournal of Chemical Theory and Computation|December 17, 2008
Assigning the protonation states of the key aspartates in β-Secretase using QM/MM X-ray structure refinementNing Yu, Seth A Hayik, Bing Wang, et al.Journal of Chemical Theory and Computation|January 27, 2009
Quantum Calculations On Hydrogen Bonds In Certain Water Clusters Show Cooperative EffectsVasiliy S Znamenskiy, Michael E GreenJournal of Chemical Theory and Computation|December 2, 2008
A Second Look at Canonical Sampling of Biomolecules using Replica Exchange SimulationDaniel M Zuckerman, Edward LymanJournal of Chemical Theory and Computation|November 4, 2008
Anisotropic, Polarizable Molecular Mechanics Studies of Inter- and Intramolecular Interactions and Ligand-Macromolecule Complexes. A Bottom-Up StrategyNohad Gresh, G Andrés Cisneros, Thomas A Darden, et al.Journal of Chemical Theory and Computation|August 30, 2008
Assessment of Semiempirical Quantum Mechanical Methods for the Evaluation of Protein StructuresAndrew M Wollacott, Kenneth M MerzPageof 1,126