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Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes.

S. Raschka, A. Wolf, J. Bemister-Buffington, and L. Kuhn. J. Comput. Aided Mol. Des., 32 (4): 511-528 (2018)

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Leslie A Harrington

Leslie A Quintero

Ernst A Kuhn

Leslie Melters

Leslie Schlüter

Other publications of authors with the same name

Simultanous Feature Extraction and Selection Using a Genetic Algorithm.M. Raymer, W. III, E. Goodman, P. Sanschagrin, and L. Kuhn. ICGA, page 561-567. Morgan Kaufmann, (1997)Discovering New Classes of Brugia malayi Asparaginyl-tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change.S. Sukuru, T. Crepin, Y. Milev, L. Marsh, J. Hill, R. Anderson, J. Morris, A. Rohatgi, G. O'Mahony, M. Grøtli and 6 other author(s). J. Comput. Aided Mol. Des., 20 (3): 159-178 (2006)Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.V. Shanmugasundaram, J. Bajorath, R. Christoffersen, J. Petke, W. Howe, M. Johnson, D. Agrafiotis, P. Lee, L. Kuhn, J. Goodwin and 7 other author(s). J. Comput. Aided Mol. Des., 36 (9): 623-638 (2022)Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes.S. Raschka, A. Wolf, J. Bemister-Buffington, and L. Kuhn. J. Comput. Aided Mol. Des., 32 (4): 511-528 (2018)One site fits both: A model for the ternary complex of folate + NADPH in R67 dihydrofolate reductase, a D2 symmetric enzyme.E. Howell, U. Shukla, S. Hicks, R. Smiley, L. Kuhn, and M. Zavodszky. J. Comput. Aided Mol. Des., 15 (11): 1035-1052 (2001)ArtSurf: a method for deformable partial matching of protein small-molecule binding sites.J. Voorst, Y. Tong, and L. Kuhn. BCB, page 36-43. ACM, (2012)Knowledge discovery in medical and biological datasets using a hybrid Bayes classifier/evolutionary algorithm.M. Raymer, T. Doom, L. Kuhn, and W. III. IEEE Trans. Syst. Man Cybern. Part B, 33 (5): 802-813 (2003)Sampling protein conformations and pathways.M. Lei, M. Zavodszky, L. Kuhn, and M. Thorpe. J. Comput. Chem., 25 (9): 1133-1148 (2004)Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.M. Zavodszky, P. Sanschagrin, R. Korde, and L. Kuhn. J. Comput. Aided Mol. Des., 16 (12): 883-902 (2002)Dimensionality reduction using genetic algorithms.M. Raymer, W. III, E. Goodman, L. Kuhn, and A. Jain. IEEE Trans. Evol. Comput., 4 (2): 164-171 (2000)

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Disambiguation of "Kuhn, Leslie A."