Showing results (21-30 of 85) with videos related to
Sort By:
Pageof 9
Journal of Chemical Information and Modeling|September 18, 2010
NNScore: a neural-network-based scoring function for the characterization of protein-ligand complexesJacob D Durrant, J Andrew McCammonJournal of Molecular Graphics & Modelling|September 2, 2011
HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysisJacob D Durrant, J Andrew McCammonChemical Biology & Drug Design|December 19, 2014
Machine-learning techniques applied to antibacterial drug discoveryJacob D Durrant, Rommie E AmaroJournal of Cheminformatics|January 12, 2021
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimizationJacob O Spiegel, Jacob D DurrantBMC Pharmacology|September 1, 2011
Towards the development of novel Trypanosoma brucei RNA editing ligase 1 inhibitorsJacob D Durrant, J Andrew McCammonCurrent Opinion in Pharmacology|October 5, 2010
Computer-aided drug-discovery techniques that account for receptor flexibilityJacob D Durrant, J Andrew McCammonJournal of Chemical Information and Modeling|February 7, 2022
BINANA 2: Characterizing Receptor/Ligand Interactions in Python and JavaScriptJade Young, Neerja Garikipati, Jacob D DurrantJournal of Cheminformatics|November 1, 2017
Scoria: a Python module for manipulating 3D molecular dataPatrick Ropp, Aaron Friedman, Jacob D DurrantScientific Reports|September 5, 2024
Teaching old docks new tricks with machine learning enhanced ensemble dockingRoshni Bhatt, Ann Wang, Jacob D DurrantChemical Biology & Drug Design|May 19, 2012
LigMerge: a fast algorithm to generate models of novel potential ligands from sets of known bindersSteffen Lindert, Jacob D Durrant, J Andrew McCammonPageof 9