Showing results (241-250 of 483) with videos related to
Sort By:
Pageof 49
Journal of Chemical Information and Modeling|December 19, 2025
Computational Modeling of PROTAC Ternary Complexes as Ensembles Using SILCS-xTACErik B Nordquist, Mingtian Zhao, Wenbo Yu, et al.The Journal of Physical Chemistry. B|November 2, 2016
Conformational Heterogeneity of Intracellular Loop 3 of the μ-opioid G-protein Coupled ReceptorJing Huang, Sirish Kaushik Lakkaraju, Andrew Coop, et al.Journal of Chemical Information and Modeling|September 16, 2024
Combined Physics- and Machine-Learning-Based Method to Identify Druggable Binding Sites Using SILCS-HotspotsErik B Nordquist, Mingtian Zhao, Anmol Kumar, et al.Journal of Chemical Theory and Computation|February 28, 2019
Toward Prediction of Electrostatic Parameters for Force Fields That Explicitly Treat Electronic PolarizationEsther Heid, Markus Fleck, Payal Chatterjee, et al.Journal of Chemical Theory and Computation|August 15, 2019
Drude Polarizable Force Field Parametrization of Carboxylate and N-Acetyl Amine Carbohydrate DerivativesPoonam Pandey, Asaminew H Aytenfisu, Alexander D MacKerell, et al.Plos Computational Biology|June 21, 2013
Impact of ribosomal modification on the binding of the antibiotic telithromycin using a combined grand canonical monte carlo/molecular dynamics simulation approachMeagan C Small, Pedro Lopes, Rodrigo B Andrade, et al.Journal of Computational Chemistry|May 5, 2018
Molecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksJing Huang, Justin A Lemkul, Peter K Eastman, et al.Current Topics in Medicinal Chemistry|August 20, 2009
Development of extracellular signal-regulated kinase inhibitorsKimberly Burkhard, Sarice Smith, Rahul Deshmukh, et al.Journal of Chemical Information and Modeling|December 15, 2010
Automated selection of compounds with physicochemical properties to maximize bioavailability and druglikenessTaiji Oashi, Ashley L Ringer, E Prabhu Raman, et al.Biomolecules|September 27, 2025
Bile Acids Are Potential Negative Allosteric Modulators of M1 Muscarinic ReceptorsWenbo Yu, Alexander D MacKerell, David J Weber, et al.Pageof 49