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Leslie A. Kuhn
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- affiliation: Michigan State University, East Lansing, MI, USA
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2020 – today
- 2022
- [j10]Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E. Christoffersen, James D. Petke, W. Jeffrey Howe, Mark A. Johnson, Dimitris K. Agrafiotis, Pil Lee, Leslie A. Kuhn, Jay T. Goodwin, M. Katharine Holloway, Thompson N. Doman, W. Patrick Walters, Suzanne K. Schreyer, José L. Medina-Franco, Karina Martínez-Mayorga, Linda L. Restifo:
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator. J. Comput. Aided Mol. Des. 36(9): 623-638 (2022)
2010 – 2019
- 2018
- [j9]Sebastian Raschka, Anne M. Scott, Nan Liu, Santosh Gunturu, Mar Huertas, Weiming Li, Leslie A. Kuhn:
Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control. J. Comput. Aided Mol. Des. 32(3): 415-433 (2018) - [j8]Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn:
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. J. Comput. Aided Mol. Des. 32(4): 511-528 (2018) - 2015
- [j7]Nan Liu, Jeffrey R. Van Voorst, John B. Johnston, Leslie A. Kuhn:
CholMine: Determinants and Prediction of Cholesterol and Cholate Binding Across Nonhomologous Protein Structures. J. Chem. Inf. Model. 55(4): 747-759 (2015) - 2012
- [c4]Jeffrey R. Van Voorst, Yiying Tong, Leslie A. Kuhn:
ArtSurf: a method for deformable partial matching of protein small-molecule binding sites. BCB 2012: 36-43
2000 – 2009
- 2006
- [j6]Sai Chetan K. Sukuru, Thibaut Crepin, Youli Milev, Liesl C. Marsh, Jonathan B. Hill, Regan J. Anderson, Jonathan C. Morris, Anjali Rohatgi, Gavin O'Mahony, Morten Grøtli, Franck Danel, Malcolm G. P. Page, Michael Härtlein, Stephen Cusack, Michael A. Kron, Leslie A. Kuhn:
Discovering New Classes of Brugia malayi Asparaginyl-tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change. J. Comput. Aided Mol. Des. 20(3): 159-178 (2006) - 2004
- [j5]Ming Lei, Maria I. Zavodszky, Leslie A. Kuhn, M. F. Thorpe:
Sampling protein conformations and pathways. J. Comput. Chem. 25(9): 1133-1148 (2004) - 2003
- [j4]Michael L. Raymer, Travis E. Doom, Leslie A. Kuhn, William F. Punch III:
Knowledge discovery in medical and biological datasets using a hybrid Bayes classifier/evolutionary algorithm. IEEE Trans. Syst. Man Cybern. Part B 33(5): 802-813 (2003) - 2002
- [j3]Maria I. Zavodszky, Paul C. Sanschagrin, Rajesh S. Korde, Leslie A. Kuhn:
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. J. Comput. Aided Mol. Des. 16(12): 883-902 (2002) - 2001
- [j2]Elizabeth E. Howell, Ushma Shukla, Stephanie N. Hicks, R. Derike Smiley, Leslie A. Kuhn, Maria I. Zavodszky:
One site fits both: A model for the ternary complex of folate + NADPH in R67 dihydrofolate reductase, a D2 symmetric enzyme. J. Comput. Aided Mol. Des. 15(11): 1035-1052 (2001) - [c3]Michael L. Raymer, Leslie A. Kuhn, William F. Punch III:
Knowledge Discovery in Biological Databasets Using a Hybrid Bayes Classifier/Evolutionary Algorithm. BIBE 2001: 236-245 - 2000
- [j1]Michael L. Raymer, William F. Punch III, Erik D. Goodman, Leslie A. Kuhn, Anil K. Jain:
Dimensionality reduction using genetic algorithms. IEEE Trans. Evol. Comput. 4(2): 164-171 (2000)
1990 – 1999
- 1999
- [c2]Volker Schnecke, Leslie A. Kuhn:
Database Screening for HIV Protease Ligands: The Influence of Binding-Site Conformation and Representation on Ligand Selectivity. ISMB 1999: 242-251 - 1997
- [c1]Michael L. Raymer, William F. Punch III, Erik D. Goodman, Paul C. Sanschagrin, Leslie A. Kuhn:
Simultanous Feature Extraction and Selection Using a Genetic Algorithm. ICGA 1997: 561-567
Coauthor Index
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