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Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss.

, , , and . Journal of Chemical Information and Modeling, 49 (10): 2242-2259 (2009)

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Development of a Minimal Kinase Ensemble Receptor (MKER) for Surrogate AutoShim., and . Journal of Chemical Information and Modeling, 51 (10): 2697-2705 (2011)Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss., , , and . Journal of Chemical Information and Modeling, 49 (10): 2242-2259 (2009)Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome., and . Journal of Chemical Information and Modeling, 52 (1): 156-170 (2012)Sensitivity Analysis and Other Improvements to Tailored Combinatorial Library Design., and . Journal of Chemical Information and Computer Sciences, 40 (2): 215-220 (2000)AutoShim: Empirically Corrected Scoring Functions for Quantitative Docking with a Crystal Structure and IC50 Training Data., and . Journal of Chemical Information and Modeling, 48 (4): 861-872 (2008)FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists., , , , , , , , , and 12 other author(s). Journal of Chemical Information and Modeling, 55 (4): 896-908 (2015)Surrogate AutoShim: Predocking into a Universal Ensemble Kinase Receptor for Three Dimensional Activity Prediction, Very Quickly, without a Crystal Structure., and . Journal of Chemical Information and Modeling, 48 (4): 873-881 (2008)Profile-QSAR and Surrogate AutoShim Protein-Family Modeling of Proteases., and . Journal of Chemical Information and Modeling, 52 (9): 2430-2440 (2012)Gazing into the crystal ball; the future of computer-aided drug design., , , , and . Journal of Computer-Aided Molecular Design, 26 (1): 77-79 (2012)Cheminformatics aspects of high throughput screening: from robots to models: symposium summary., , , and . Journal of Computer-Aided Molecular Design, 27 (5): 443-453 (2013)