Joseph Bemister-Buffington

Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

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

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

L. Kuhn, Joseph Bemister-Buffington, A. Wolf, 2018, bioRxiv.

Detecting the native ligand orientation by interfacial rigidity: SiteInterlock

Sebastian Raschka, L. Kuhn, Joseph Bemister-Buffington, 2016, Proteins.

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.

Machine Learning to Identify Flexibility Signatures of Class A GPCR Inhibition

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