| Molecular dynamics simulations and drug discovery JD Durrant, JA McCammon BMC biology 9, 1-9, 2011 | 1490 | 2011 |
| NNScore 2.0: a neural-network receptor–ligand scoring function JD Durrant, JA McCammon Journal of chemical information and modeling 51 (11), 2897-2903, 2011 | 391 | 2011 |
| NNScore: a neural-network-based scoring function for the characterization of protein− ligand complexes JD Durrant, JA McCammon Journal of chemical information and modeling 50 (10), 1865-1871, 2010 | 267 | 2010 |
| BINANA: a novel algorithm for ligand-binding characterization JD Durrant, JA McCammon Journal of Molecular Graphics and Modelling 29 (6), 888-893, 2011 | 254 | 2011 |
| POVME 2.0: an enhanced tool for determining pocket shape and volume characteristics JD Durrant, L Votapka, J Sørensen, RE Amaro Journal of chemical theory and computation 10 (11), 5047-5056, 2014 | 245 | 2014 |
| Emerging computational methods for the rational discovery of allosteric drugs JR Wagner, CT Lee, JD Durrant, RD Malmstrom, VA Feher, RE Amaro Chemical reviews 116 (11), 6370-6390, 2016 | 235 | 2016 |
| POVME: an algorithm for measuring binding-pocket volumes JD Durrant, CAF de Oliveira, JA McCammon Journal of Molecular Graphics and Modelling 29 (5), 773-776, 2011 | 235 | 2011 |
| Weighted implementation of suboptimal paths (WISP): an optimized algorithm and tool for dynamical network analysis AT Van Wart, J Durrant, L Votapka, RE Amaro Journal of chemical theory and computation 10 (2), 511-517, 2014 | 179 | 2014 |
| Computational approaches to mapping allosteric pathways VA Feher, JD Durrant, AT Van Wart, RE Amaro Current opinion in structural biology 25, 98-103, 2014 | 146 | 2014 |
| AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization JO Spiegel, JD Durrant Journal of cheminformatics 12, 1-16, 2020 | 138 | 2020 |
| AutoGrow: a novel algorithm for protein inhibitor design JD Durrant, RE Amaro, JA McCammon Chemical biology & drug design 73 (2), 168-178, 2009 | 124 | 2009 |
| Computer-aided drug-discovery techniques that account for receptor flexibility JD Durrant, JA McCammon Current opinion in pharmacology 10 (6), 770-774, 2010 | 106 | 2010 |
| A multidimensional strategy to detect polypharmacological targets in the absence of structural and sequence homology JD Durrant, RE Amaro, L Xie, MD Urbaniak, MAJ Ferguson, ... PLoS computational biology 6 (1), e1000648, 2010 | 105 | 2010 |
| Mesoscale all-atom influenza virus simulations suggest new substrate binding mechanism JD Durrant, SE Kochanek, L Casalino, PU Ieong, AC Dommer, RE Amaro ACS central science 6 (2), 189-196, 2020 | 102 | 2020 |
| Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser Y Kochnev, E Hellemann, KC Cassidy, JD Durrant Bioinformatics 36 (16), 4513-4515, 2020 | 89 | 2020 |
| Novel Naphthalene-Based Inhibitors of Trypanosoma brucei RNA Editing Ligase 1 JD Durrant, L Hall, RV Swift, M Landon, A Schnaufer, RE Amaro PLoS neglected tropical diseases 4 (8), e803, 2010 | 89 | 2010 |
| ProteinVR: Web-based molecular visualization in virtual reality KC Cassidy, J Šefčík, Y Raghav, A Chang, JD Durrant PLoS computational biology 16 (3), e1007747, 2020 | 88 | 2020 |
| HBonanza: a computer algorithm for molecular-dynamics-trajectory hydrogen-bond analysis JD Durrant, JA McCammon Journal of Molecular Graphics and Modelling 31, 5-9, 2011 | 86 | 2011 |
| Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening PJ Ropp, JO Spiegel, JL Walker, H Green, GA Morales, KA Milliken, ... Journal of cheminformatics 11, 1-13, 2019 | 78 | 2019 |
| DeepFrag: a deep convolutional neural network for fragment-based lead optimization H Green, DR Koes, JD Durrant Chemical Science 12 (23), 8036-8047, 2021 | 72 | 2021 |
