Leslie A. Kuhn

According to our database, Leslie A. Kuhn authored at least 14 papers between 1997 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of three.

2022

Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.

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

J. Comput. Aided Mol. Des., 2022

2018

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.

Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn

J. Comput. Aided Mol. Des., 2018

Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control.

Sebastian Raschka, Anne M. Scott, Nan Liu, Santosh Gunturu, Mar Huertas, Weiming Li, Leslie A. Kuhn

J. Comput. Aided Mol. Des., 2018

2015

CholMine: Determinants and Prediction of Cholesterol and Cholate Binding Across Nonhomologous Protein Structures.

Nan Liu, Jeffrey R. Van Voorst, John B. Johnston, Leslie A. Kuhn

J. Chem. Inf. Model., 2015

2012

ArtSurf: a method for deformable partial matching of protein small-molecule binding sites.

Jeffrey R. Van Voorst, Yiying Tong, Leslie A. Kuhn

Proceedings of the ACM International Conference on Bioinformatics, 2012

2006

Discovering New Classes of <i>Brugia malayi</i> Asparaginyl-tRNA Synthetase Inhibitors and Relating Specificity to Conformational Change.

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

J. Comput. Aided Mol. Des., 2006

2004

Sampling protein conformations and pathways.

Ming Lei, Maria I. Zavodszky, Leslie A. Kuhn, M. F. Thorpe

J. Comput. Chem., 2004

2003

Knowledge discovery in medical and biological datasets using a hybrid Bayes classifier/evolutionary algorithm.

Michael L. Raymer, Travis E. Doom, Leslie A. Kuhn, William F. Punch III

IEEE Trans. Syst. Man Cybern. Part B, 2003

2002

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

Maria I. Zavodszky, Paul C. Sanschagrin, Rajesh S. Korde, Leslie A. Kuhn

J. Comput. Aided Mol. Des., 2002

2001

One site fits both: A model for the ternary complex of folate + NADPH in R67 dihydrofolate reductase, a D2 symmetric enzyme.

Elizabeth E. Howell, Ushma Shukla, Stephanie N. Hicks, R. Derike Smiley, Leslie A. Kuhn, Maria I. Zavodszky

J. Comput. Aided Mol. Des., 2001

Knowledge Discovery in Biological Databasets Using a Hybrid Bayes Classifier/Evolutionary Algorithm.

Michael L. Raymer, Leslie A. Kuhn, William F. Punch III

Proceedings of the 2nd IEEE International Symposium on Bioinformatics and Bioengineering, 2001

2000

Dimensionality reduction using genetic algorithms.

Michael L. Raymer, William F. Punch III, Erik D. Goodman, Leslie A. Kuhn, Anil K. Jain

IEEE Trans. Evol. Comput., 2000

1999

Database Screening for HIV Protease Ligands: The Influence of Binding-Site Conformation and Representation on Ligand Selectivity.

Volker Schnecke, Leslie A. Kuhn

Proceedings of the Seventh International Conference on Intelligent Systems for Molecular Biology, 1999

1997

Simultanous Feature Extraction and Selection Using a Genetic Algorithm.

Michael L. Raymer, William F. Punch III, Erik D. Goodman, Paul C. Sanschagrin, Leslie A. Kuhn

Proceedings of the 7th International Conference on Genetic Algorithms, 1997