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Journal of Chemical Information and Modeling|September 14, 2011
CrystalDock: a novel approach to fragment-based drug designJacob D Durrant, Aaron J Friedman, J Andrew McCammonNucleic Acids Research|May 23, 2024
MolModa: accessible and secure molecular docking in a web browserYuri Kochnev, Mayar Ahmed, Alex M Maldonado, et al.Journal of Chemical Theory and Computation|November 18, 2014
POVME 2.0: An Enhanced Tool for Determining Pocket Shape and Volume CharacteristicsJacob D Durrant, Lane Votapka, Jesper Sørensen, et al.The Journal of Organic Chemistry|October 7, 2016
One-Shot Determination of Residual Dipolar Couplings: Application to the Structural Discrimination of Small Molecules Containing Multiple StereocentersLaura Castañar, Manuela Garcia, Erich Hellemann, et al.Chemical Biology & Drug Design|May 26, 2011
Pyrone-based inhibitors of metalloproteinase types 2 and 3 may work as conformation-selective inhibitorsJacob D Durrant, César A F de Oliveira, J Andrew McCammonJournal of Molecular Graphics & Modelling|December 15, 2010
POVME: an algorithm for measuring binding-pocket volumesJacob D Durrant, César Augusto F de Oliveira, J Andrew McCammonPlos Neglected Tropical Diseases|May 21, 2010
Computational identification of uncharacterized cruzain binding sitesJacob D Durrant, Henrik Keränen, Benjamin A Wilson, et al.Journal of Cheminformatics|February 16, 2019
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small moleculesPatrick J Ropp, Jesse C Kaminsky, Sara Yablonski, et al.Journal of Chemical Information and Modeling|October 4, 2019
PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web BrowserSayuri Pacheco, Jesse C Kaminsky, Iurii K Kochnev, et al.Journal of Molecular Recognition : JMR|November 3, 2009
Including receptor flexibility and induced fit effects into the design of MMP-2 inhibitorsJacob D Durrant, César Augusto F de Oliveira, J Andrew McCammonPageof 9