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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
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
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
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
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
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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