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A kinematic view of loop closure., , , and . J. Comput. Chem., 25 (4): 510-528 (2004)Phosphorylation of the Arp2 Subunit Relieves Auto-inhibitory Interactions for Arp2/3 Complex Activation., , , and . PLoS Comput. Biol., (2011)Defining the Product Chemical Space of Monoterpenoid Synthases., , and . PLoS Comput. Biol., (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)Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects, , , , and . Journal of Medicinal Chemistry, 49 (2): 534-553 (2006)PMID: 16420040.Simple Predictive Models of Passive Membrane Permeability Incorporating Size-Dependent Membrane-Water Partition., , and . Journal of Chemical Information and Modeling, 56 (5): 924-929 (2016)The Free Energy Profile of Tubulin Straight-Bent Conformational Changes, with Implications for Microtubule Assembly and Drug Discovery., , , , and . PLoS Comput. Biol., (2014)Conformational Changes in Protein Loops and Helices Induced by Post-Translational Phosphorylation., , and . PLoS Comput. Biol., (2006)Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach., , , , , , and . PLoS Comput. Biol., (2014)Non-degradative Ubiquitination of Protein Kinases., , , , , , and . PLoS Comput. Biol., (2016)