Leslie A Kuhn

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 5

Top Topics

Convolutional Neural Network

Binding Protein

Top Venues

Journal of computer-aided molecular design

Methods in molecular biology (Clifton, N.J.)

This page only lists publications with an associated author ORCID identifier.

Publications

Jiaxing Chen, Leslie A Kuhn, Sebastian Raschka
Techniques for Developing Reliable Machine Learning Classifiers Applied to Understanding and Predicting Protein:Protein Interaction Hot Spots. Methods in molecular biology (Clifton, N.J.) 2714 (2023)
Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E Christoffersen, James D Petke, W Jeffrey Howe, Mark A Johnson, Dimitris K Agrafiotis, Pil H Lee, Leslie A Kuhn, Jay T Goodwin, M Katharine Holloway, Thompson N Doman, W Patrick Walters, Suzanne Schreyer, José Luis Medina-Franco, Karina Martinez-Mayorga, Linda L Restifo
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator. Journal of computer-aided molecular design 36 (9) (2022)
Joseph Bemister-Buffington, Alex J Wolf, Sebastian Raschka, Leslie A Kuhn
Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition. Biomolecules 10 (3) (2020)
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. Journal of computer-aided molecular design 32 (4) (2018)
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. Journal of computer-aided molecular design 32 (3) (2018)