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Automated docking of highly flexible ligands by genetic algorithms: A critical assessment., , , and . Journal of Computational Chemistry, 25 (3): 412-422 (2004)Performance Characterization of a Molecular Dynamics Code on PC Clusters: Is There Any Easy Parallelism in CHARMM?., , , , and . IPDPS, IEEE Computer Society, (2002)FACTS: Fast analytical continuum treatment of solvation., and . Journal of Computational Chemistry, 29 (5): 701-715 (2008)Data Management System for Distributed Virtual Screening., and . Journal of Chemical Information and Modeling, 49 (1): 145-152 (2009)Kinase selectivity potential for inhibitors targeting the ATP binding site: a network analysis., , , , and . Bioinformatics, 26 (2): 198-204 (2010)Multistep greedy algorithm identifies community structure in real-world and computer-generated networks, and . CoRR, (2008)Structure-based ligand design by a build-up approach and genetic algorithm search in conformational space., , , and . Journal of Computational Chemistry, 22 (16): 1956-1970 (2001)Computational combinatorial ligand design: Application to human alpha-thrombin.. Journal of Computer-Aided Molecular Design, 10 (5): 372-396 (1996)Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization., and . Journal of Chemical Information and Modeling, 48 (3): 679-690 (2008)Comment on the validation of continuum electrostatics models., and . Journal of Computational Chemistry, 20 (14): 1533-1536 (1999)