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Journal of Medicinal Chemistry|April 28, 2006
Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfacesShuxing Zhang, Alexander Golbraikh, Alexander TropshaJournal of Chemical Information and Computer Sciences|July 23, 2002
Novel ZE-isomerism descriptors derived from molecular topology and their application to QSAR analysisAlexander Golbraikh, Danail Bonchev, Alexander TropshaJournal of Chemical Information and Modeling|December 19, 2014
Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmarkDenis Fourches, Regina Politi, Alexander TropshaScience Advances|July 28, 2018
Deep reinforcement learning for de novo drug designMariya Popova, Olexandr Isayev, Alexander TropshaJournal of Chemical Information and Computer Sciences|December 26, 2001
Diversity and coverage of structural sublibraries selected using the SAGE and SCA algorithmsC H Reynolds, A Tropsha, L B Pfahler, et al.Pathogens (Basel, Switzerland)|July 27, 2022
Analyzing the Systems Biology Effects of COVID-19 mRNA Vaccines to Assess Their Safety and Putative Side EffectsRima Hajjo, Dima A Sabbah, Alexander TropshaDrug Discovery Today|March 23, 2025
The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom's lawAlexander Tropsha, Holli-Joi Martin, Artem CherkasovMolecular Informatics|October 26, 2016
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentIgor V Tetko, Uko Maran, Alexander TropshaProteins|May 24, 2008
HIV-1 protease function and structure studies with the simplicial neighborhood analysis of protein packing methodShuxing Zhang, Andrew H Kaplan, Alexander TropshaMolecular Informatics|August 5, 2016
Drug Side Effect Profiles as Molecular Descriptors for Predictive Modeling of Target BioactivityNancy C Baker, Denis Fourches, Alexander TropshaPageof 33,890