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SitePrint: Three-Dimensional Pharmacophore Descriptors Derived from Protein Binding Sites for Family Based Active Site Analysis, Classification, and Drug Design.

J. Arnold, K. Burdick, S. Pegg, S. Toba, M. Lamb, and I. Kuntz. Journal of Chemical Information and Modeling, 44 (6): 2190-2198 (2004)

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Ryan Irwin

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Other publications of authors with the same name

Evaluating docked complexes with the HINT exponential function and empirical atomic hydrophobicities.E. Meng, I. Kuntz, D. Abraham, and G. Kellogg. J. Comput. Aided Mol. Des., 8 (3): 299-306 (1994)Flexible ligand docking using a genetic algorithm.C. Oshiro, I. Kuntz, and J. Dixon. J. Comput. Aided Mol. Des., 9 (2): 113-130 (1995)Development and validation of a modular, extensible docking program: DOCK 5.D. Moustakas, P. Lang, S. Pegg, E. Pettersen, I. Kuntz, N. Brooijmans, and R. Rizzo. J. Comput. Aided Mol. Des., 20 (10-11): 601-619 (2006)New molecular shape descriptors: Application in database screening.A. Good, T. Ewing, D. Gschwend, and I. Kuntz. J. Comput. Aided Mol. Des., 9 (1): 1-12 (1995)Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors.A. Good, and I. Kuntz. J. Comput. Aided Mol. Des., 9 (4): 373-379 (1995)A fast and efficient method for 2D and 3D molecular shape description.G. Bemis, and I. Kuntz. J. Comput. Aided Mol. Des., 6 (6): 607-628 (1992)DOCK 6: Impact of new features and current docking performance.W. Allen, T. Balius, S. Mukherjee, S. Brozell, D. Moustakas, P. Lang, D. Case, I. Kuntz, and R. Rizzo. J. Comput. Chem., 36 (15): 1132-1156 (2015)A genetic algorithm for structure-based de novo design.S. Pegg, J. Haresco, and I. Kuntz. J. Comput. Aided Mol. Des., 15 (10): 911-933 (2001)BUILDER v.2: Improving the chemistry of a de novo design strategy.D. Roe, and I. Kuntz. J. Comput. Aided Mol. Des., 9 (3): 269-282 (1995)High throughput protein fold identification by using experimental constraints derived from intramolecular cross-links and mass spectrometry.M. Young, N. Tang, J. Hempel, C. Oshiro, E. Taylor, I. Kuntz, B. Gibson, and G. Dollinger. Proc. Natl. Acad. Sci. USA, 97 (11): 5802-5806 (2000)