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Journal of Chemical Information and Modeling|November 24, 2020
Recent Open Issues in Coarse Grained Force FieldsFelipe Rodrigues Souza, Lucas Miguel Pereira Souza, Andre Silva PimentelJournal of Chemical Information and Modeling|November 12, 2020
Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational ChangesJordi Juárez-Jiménez, Philip Tew, Michael O Connor, et al.Journal of Chemical Information and Modeling|November 13, 2020
Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine LearningNurlybek Amangeldiuly, Dmitry Karlov, Maxim V FedorovJournal of Chemical Information and Modeling|November 10, 2020
Machine Learning Enhanced Spectrum Recognition Based on Computer Vision (SRCV) for Intelligent NMR Data ExtractionWenqiang Jia, Zhuo Yang, Minjian Yang, et al.Journal of Chemical Information and Modeling|October 19, 2020
Structural and Dynamic Insights into Redundant Function of YTHDF ProteinsYaozong Li, Rajiv K Bedi, Elena V Moroz-Omori, et al.Journal of Chemical Information and Modeling|September 4, 2020
Metabolic Forest: Predicting the Diverse Structures of Drug MetabolitesTyler B Hughes, Na Le Dang, Ayush Kumar, et al.Journal of Chemical Information and Modeling|September 25, 2020
The Derivation of a Matched Molecular Pairs Based ADME/Tox Knowledge Base for Compound OptimizationJames A Lumley, Prashant Desai, Jibo Wang, et al.Journal of Chemical Information and Modeling|September 25, 2020
PRosettaC: Rosetta Based Modeling of PROTAC Mediated Ternary ComplexesDaniel Zaidman, Jaime Prilusky, Nir LondonJournal of Chemical Information and Modeling|September 28, 2020
PI1M: A Benchmark Database for Polymer InformaticsRuimin Ma, Tengfei LuoJournal of Chemical Information and Modeling|September 14, 2020
ChemGrapher: Optical Graph Recognition of Chemical Compounds by Deep LearningMartijn Oldenhof, Adam Arany, Yves Moreau, et al.Pageof 909