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Current Pharmaceutical Design|March 26, 2016
Exploring Polypharmacology in Drug Discovery and Repurposing Using the CANDO PlatformGaurav Chopra, Ram SamudralaMini Reviews in Medicinal Chemistry|February 20, 2015
Multiscale modelling of relationships between protein classes and drug behavior across all diseases using the CANDO platformGeetika Sethi, Gaurav Chopra, Ram SamudralaJournal of Chemical Information and Modeling|February 19, 2020
CANDOCK: Chemical Atomic Network-Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical PotentialsJonathan Fine, Janez Konc, Ram Samudrala, et al.Frontiers in Chemistry|February 3, 2022
Accurate Prediction of Inhibitor Binding to HIV-1 Protease Using CANDOCKZackary Falls, Jonathan Fine, Gaurav Chopra, et al.Journal of Chemical Information and Modeling|June 10, 2020
cando.py: Open Source Software for Predictive Bioanalytics of Large Scale Drug-Protein-Disease DataWilliam Mangione, Zackary Falls, Gaurav Chopra, et al.Scientific Reports|September 13, 2019
Computational chemoproteomics to understand the role of selected psychoactives in treating mental health indicationsJonathan Fine, Rachel Lackner, Ram Samudrala, et al.Molecules (Basel, Switzerland)|November 30, 2016
Combating Ebola with Repurposed Therapeutics Using the CANDO PlatformGaurav Chopra, Sashank Kaushik, Peter L Elkin, et al.Plos One|September 12, 2013
Distal effect of amino acid substitutions in CYP2C9 polymorphic variants causes differences in interatomic interactions against (S)-warfarinPanida Lertkiatmongkol, Anunchai Assawamakin, George White, et al.Drug Discovery Today|July 2, 2014
CANDO and the infinite drug discovery frontierMark Minie, Gaurav Chopra, Geetika Sethi, et al.BMC Bioinformatics|August 19, 2006
Incorporating background frequency improves entropy-based residue conservation measuresKai Wang, Ram SamudralaPageof 18