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Normalizing Molecular Docking Rankings using Virtually Generated Decoys.

, , , , and . Journal of Chemical Information and Modeling, 51 (8): 1817-1830 (2011)

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An Exact Algorithm For Determining Protein Backbone Structure From NH Residual Dipolar Couplings., , , and . CSB, page 611-612. IEEE Computer Society, (2003)Large a polynomial-time nuclear vector replacement algorithm for automated NMR resonance assignments., , , , and . RECOMB, page 176-187. ACM, (2003)Efficient a Priori Identification of Drug Resistant Mutations Using Dead-End Elimination and MM-PBSA., and . Journal of Chemical Information and Modeling, 52 (6): 1529-1541 (2012)Normalizing Molecular Docking Rankings using Virtually Generated Decoys., , , , and . Journal of Chemical Information and Modeling, 51 (8): 1817-1830 (2011)A Novel Minimized Dead-End Elimination Criterion and Its Application to Protein Redesign in a Hybrid Scoring and Search Algorithm for Computing Partition Functions over Molecular Ensembles., , and . RECOMB, volume 3909 of Lecture Notes in Computer Science, page 530-545. Springer, (2006)A novel ensemble-based scoring and search algorithm for protein redesign, and its application to modify the substrate specificity of the gramicidin synthetase a phenylalanine adenylation enzyme., , , and . RECOMB, page 46-57. ACM, (2004)Adapting a single-user, single-display molecular visualization application for use in a multi-user, multi-display environment., and . AVI, page 367-371. ACM Press, (2008)Improved Pruning algorithms and Divide-and-Conquer strategies for Dead-End Elimination, with application to protein design., , and . ISMB (Supplement of Bioinformatics), page 174-183. (2006)Applying Medicinal Chemistry Transformations and Multiparameter Optimization to Guide the Search for High-Quality Leads and Candidates., , , , , and . Journal of Chemical Information and Modeling, 51 (11): 2967-2976 (2011)Virtual Decoy Sets for Molecular Docking Benchmarks., and . Journal of Chemical Information and Modeling, 51 (2): 196-202 (2011)