Alex J. Wolf

Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

Sebastian Raschka, Leslie A. Kuhn, Joseph Bemister-Buffington, 2020, bioRxiv.

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, Leslie A. Kuhn, Joseph Bemister-Buffington, 2018, Journal of Computer-Aided Molecular Design.