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Journal of Chemical Information and Modeling|May 24, 2021
DeepFrag: An Open-Source Browser App for Deep-Learning Lead OptimizationHarrison Green, Jacob D DurrantMolecules (Basel, Switzerland)|July 27, 2022
Open-Source Browser-Based Tools for Structure-Based Computer-Aided Drug DiscoveryAnn Wang, Jacob D DurrantBMC Biology|March 22, 2026
Generative AI in structure-based drug discoveryZhuoya Zhong, Jacob D DurrantJournal of Molecular Graphics & Modelling|February 12, 2011
BINANA: a novel algorithm for ligand-binding characterizationJacob D Durrant, J Andrew McCammonPlos Computational Biology|March 23, 2012
AutoClickChem: click chemistry in silicoJacob D Durrant, J Andrew McCammonPlos Computational Biology|July 18, 2014
LipidWrapper: an algorithm for generating large-scale membrane models of arbitrary geometryJacob D Durrant, Rommie E AmaroJournal of Chemical Information and Modeling|October 25, 2011
NNScore 2.0: a neural-network receptor-ligand scoring functionJacob D Durrant, J Andrew McCammonBMC Biology|November 1, 2011
Molecular dynamics simulations and drug discoveryJacob D Durrant, J Andrew McCammonComputational Biology and Chemistry|April 30, 2010
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug designJacob D Durrant, J Andrew McCammonBMC Bioinformatics|June 3, 2014
WebChem Viewer: a tool for the easy dissemination of chemical and structural data setsJacob D Durrant, Rommie E AmaroPageof 9