PEP-Patch: Electrostatics in Protein-Protein Recognition, Specificity, and Antibody Developability

Overview

Journal J Chem Inf Model

Publisher American Chemical Society

Specialties Chemistry
Medical Informatics

Date 2023 Nov 7

PMID 37934909

Authors

Valentin J Hoerschinger

Franz Waibl

Nancy D Pomarici

Johannes R Loeffler

Charlotte M Deane

Guy Georges

Hubert Kettenberger

Monica L Fernandez-Quintero

Klaus R Liedl

Affiliations

Soon will be listed here.

Abstract

The electrostatic properties of proteins arise from the number and distribution of polar and charged residues. Electrostatic interactions in proteins play a critical role in numerous processes such as molecular recognition, protein solubility, viscosity, and antibody developability. Thus, characterizing and quantifying electrostatic properties of a protein are prerequisites for understanding these processes. Here, we present PEP-Patch, a tool to visualize and quantify the electrostatic potential on the protein surface in terms of surface patches, denoting separated areas of the surface with a common physical property. We highlight its applicability to elucidate protease substrate specificity and antibody-antigen recognition and predict heparin column retention times of antibodies as an indicator of pharmacokinetics.

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