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All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data., and . J. Comput. Chem., 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). J. Chem. Inf. Model., 44 (2): 643-651 (2004)rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids., , , , , , , , and . PLoS Comput. Biol., (2014)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)How Thioredoxin Dissociates Its Mixed Disulfide., , , , , , and . PLoS Comput. Biol., (2009)New insights into the structure of abasic DNA from molecular dynamics simulations., , , , and . Nucleic Acids Res., 28 (13): 2613-2626 (2000)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 Comput. Biol., (2015)