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Conformational Sampling of Druglike Molecules with MOE and Catalyst: Implications for Pharmacophore Modeling and Virtual Screening., and . Journal of Chemical Information and Modeling, 48 (9): 1773-1791 (2008)All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data., and . Journal of Computational Chemistry, 21 (2): 86-104 (2000)Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds., , , , , , , , , and 2 other author(s). Journal of Chemical Information and Modeling, 44 (2): 643-651 (2004)rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids., , , , , , , , and . PLoS Computational Biology, (2014)New insights into the structure of abasic DNA from molecular dynamics simulations., , , , and . Nucleic Acids Research, 28 (13): 2613-2626 (2000)How Thioredoxin Dissociates Its Mixed Disulfide., , , , , , and . PLoS Computational Biology, (2009)Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst., and . Journal of Chemical Information and Modeling, 50 (5): 822-839 (2010)Simulations Meet Experiment to Reveal New Insights into DNA Intrinsic Mechanics., , , , , and . PLoS Computational Biology, (2015)