Leslie A Kuhn

5PUBLICATIONS
11CO-AUTHORS
Deep learningCheminformatics and quantitative structure-activity relationshipsProteins and peptidesBiomolecular modelling and design
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Publications (5)

|Sep 07, 2023
Techniques for Developing Reliable Machine Learning Classifiers Applied to Understanding and Predicting Protein:Protein Interaction Hot Spots.

Jiaxing Chen, Leslie A Kuhn, Sebastian Raschka

|Sep 16, 2022
Epilogue to the Gerald Maggiora Festschrift: a tribute to an exemplary mentor, colleague, collaborator, and innovator.

Veerabahu Shanmugasundaram, Jürgen Bajorath, Ralph E Christoffersen

|Mar 19, 2020
Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition.

Joseph Bemister-Buffington, Alex J Wolf, Sebastian Raschka

|Feb 14, 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

|Feb 01, 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

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Frequent Collaborators

2 joint publications

Sebastian Raschka

1 joint publications

Veerabahu Shanmugasundaram

1 joint publications

Jürgen Bajorath

1 joint publications

Dimitris K Agrafiotis