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Phosphorylation of the Arp2 Subunit Relieves Auto-inhibitory Interactions for Arp2/3 Complex Activation., , , and . PLoS Computational Biology, (2011)Defining the Product Chemical Space of Monoterpenoid Synthases., , and . PLoS Computational Biology, (2016)A kinematic view of loop closure., , , and . Journal of Computational Chemistry, 25 (4): 510-528 (2004)Dihedral Angle-Based Sampling of Natural Product Polyketide Conformations: Application to Permeability Prediction., , , , , , , , and . Journal of Chemical Information and Modeling, 56 (11): 2194-2206 (2016)Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening., , , and . Journal of Chemical Information and Modeling, 46 (1): 243-253 (2006)An atomistic model of passive membrane permeability: application to a series of FDA approved drugs., and . Journal of Computer-Aided Molecular Design, 21 (12): 675-679 (2007)Prediction of Substrates for Glutathione Transferases by Covalent Docking., , , , , , , , , and 2 other author(s). Journal of Chemical Information and Modeling, 54 (6): 1687-1699 (2014)A New View of the Bacterial Cytosol Environment., , and . PLoS Computational Biology, (2011)Predicting Binding to P-Glycoprotein by Flexible Receptor Docking., , , and . PLoS Computational Biology, (2011)Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW., , , , , , , , , and 1 other author(s). PLoS Computational Biology, (2010)