Showing results (1641-1650 of 11,389) with videos related to

Sort By:
Pageof 1,139
Journal of Chemical Theory and Computation|October 29, 2019
Well-Balanced Force Field ff03CMAP for Folded and Disordered ProteinsYangpeng Zhang, Hao Liu, Sheng Yang, et al.
Journal of Chemical Theory and Computation|October 29, 2019
Improving the Accuracy of PCM-UAHF and PCM-UAKS Calculations Using Optimized Electrostatic Scaling FactorsLongkun Xu, Michelle L Coote
Journal of Chemical Theory and Computation|December 12, 2018
Second-Order Dispersion Energy Based on Multireference Description of MonomersMichał Hapka, Michał Przybytek, Katarzyna Pernal
Journal of Chemical Theory and Computation|December 12, 2018
Improving Vibrational Mode Interpretation Using Bayesian RegressionFilipe Teixeira, M Natália D S Cordeiro
Journal of Chemical Theory and Computation|January 16, 2019
How Effectively Can Adaptive Sampling Methods Capture Spontaneous Ligand Binding?Robin M Betz, Ron O Dror
Journal of Chemical Theory and Computation|December 13, 2018
Accelerating the Calculation of Protein-Ligand Binding Free Energy and Residence Times Using Dynamically Optimized Collective VariablesZ Faidon Brotzakis, Vittorio Limongelli, Michele Parrinello
Journal of Chemical Theory and Computation|December 13, 2018
Structure and Dynamics of the Hydration Shell: Spatially Decomposed Time Correlation ApproachEva Pluhařová, Pavel Jungwirth, Nobuyuki Matubayasi, et al.
Journal of Chemical Theory and Computation|December 14, 2018
AUTOMATON: A Program That Combines a Probabilistic Cellular Automata and a Genetic Algorithm for Global Minimum Search of Clusters and MoleculesOsvaldo Yañez, Rodrigo Báez-Grez, Diego Inostroza, et al.
Journal of Chemical Theory and Computation|August 15, 2017
Sampling Long- versus Short-Range Interactions Defines the Ability of Force Fields To Reproduce the Dynamics of Intrinsically Disordered ProteinsDavide Mercadante, Johannes A Wagner, Iker V Aramburu, et al.
Journal of Chemical Theory and Computation|August 22, 2017
Modeling Electronic Circular Dichroism within the Polarizable Embedding ApproachMorten S Nørby, Jógvan Magnus Haugaard Olsen, Casper Steinmann, et al.
Pageof 1,139