Showing results (241-250 of 362) with videos related to
Sort By:
Pageof 37
Journal of Chemical Information and Modeling|October 15, 2020
Converging Interests: Chemoinformatics, History, and BibliometricsWenxi Zhao, Dmitriy Korobskiy, Shreya Chandrasekharan, et al.ACS Medicinal Chemistry Letters|December 7, 2013
Computer-aided Drug Design: Using Numbers to your AdvantageJohn C Faver, M Nihan Ucisik, Wei Yang, et al.Journal of Computational Chemistry|September 14, 2004
PM3-compatible zinc parameters optimized for metalloenzyme active sitesEdward N Brothers, Dimas Suarez, David W Deerfield, et al.Journal of Chemical Information and Modeling|January 31, 2023
Quantum Mechanics/Molecular Mechanics Simulations on NVIDIA and AMD Graphics Processing UnitsMadushanka Manathunga, Hasan Metin Aktulga, Andreas W Götz, et al.Journal of Chemical Theory and Computation|January 24, 2014
Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA TetranucleotideChristina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.The Journal of Physical Chemistry. B|March 29, 2007
Molecular dynamics study of ethanolamine as a pure liquid and in aqueous solutionEirik F da Silva, Tatyana Kuznetsova, Bjørn Kvamme, et al.The Journal of Physical Chemistry. A|August 30, 2008
MNDO parameters for the prediction of 19F NMR chemical shifts in biologically relevant compoundsDuane E Williams, Martin B Peters, Bing Wang, et al.The Journal of Physical Chemistry. A|May 7, 2014
Adenine formation without HCNKenneth M Merz, Eduardo C Aguiar, Joao Bosco P da SilvaScientific Data|May 3, 2020
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for moleculesJustin S Smith, Roman Zubatyuk, Benjamin Nebgen, et al.Journal of Chemical Theory and Computation|June 9, 2016
Coarse-Grained Simulations of Heme Proteins: Validation and Study of Large Conformational TransitionsClaudia L Ramírez, Ariel Petruk, Mauro Bringas, et al.Pageof 37