Leslie A. Kuhn

14 papers A 1C 1Journal 10Unranked 2
YearRankTypeTitle / Venue / Authors
2022 J jnl
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.
J. Comput. Aided Mol. Des.
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
2018 J jnl
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.
Sebastian Raschka, Anne M. Scott, Nan Liu, Santosh Gunturu, Mar Huertas, Weiming Li, Leslie A. Kuhn
2018 J jnl
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.
Sebastian Raschka, Alex J. Wolf, Joseph Bemister-Buffington, Leslie A. Kuhn
2015 J jnl
CholMine: Determinants and Prediction of Cholesterol and Cholate Binding Across Nonhomologous Protein Structures.
J. Chem. Inf. Model.
Nan Liu, Jeffrey R. Van Voorst, John B. Johnston, Leslie A. Kuhn
2012 — conf
ArtSurf: a method for deformable partial matching of protein small-molecule binding sites.
BCB
Jeffrey R. Van Voorst, Yiying Tong, Leslie A. Kuhn
2006 J jnl
Discovering New Classes of
J. Comput. Aided Mol. Des.
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
2004 J jnl
Sampling protein conformations and pathways.
J. Comput. Chem.
Ming Lei, Maria I. Zavodszky, Leslie A. Kuhn, M. F. Thorpe
2003 J jnl
Knowledge discovery in medical and biological datasets using a hybrid Bayes classifier/evolutionary algorithm.
IEEE Trans. Syst. Man Cybern. Part B
Michael L. Raymer, Travis E. Doom, Leslie A. Kuhn, William F. Punch III
2002 J jnl
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
J. Comput. Aided Mol. Des.
Maria I. Zavodszky, Paul C. Sanschagrin, Rajesh S. Korde, Leslie A. Kuhn
2001 C conf
Knowledge Discovery in Biological Databasets Using a Hybrid Bayes Classifier/Evolutionary Algorithm.
BIBE
Michael L. Raymer, Leslie A. Kuhn, William F. Punch III
2001 J jnl
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.
Elizabeth E. Howell, Ushma Shukla, Stephanie N. Hicks, R. Derike Smiley, Leslie A. Kuhn, Maria I. Zavodszky
2000 J jnl
Dimensionality reduction using genetic algorithms.
IEEE Trans. Evol. Comput.
Michael L. Raymer, William F. Punch III, Erik D. Goodman, Leslie A. Kuhn, Anil K. Jain
1999 A conf
Database Screening for HIV Protease Ligands: The Influence of Binding-Site Conformation and Representation on Ligand Selectivity.
ISMB
Volker Schnecke, Leslie A. Kuhn
1997 — conf
Simultanous Feature Extraction and Selection Using a Genetic Algorithm.
ICGA
Michael L. Raymer, William F. Punch III, Erik D. Goodman, Paul C. Sanschagrin, Leslie A. Kuhn