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Updated: Mar 7, 2026

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions
Published on: January 26, 2024
Modeling and Design of Peptidomimetics to Modulate Protein-Protein Interactions
Andrew M Watkins1, Richard Bonneau2,3, Paramjit S Arora4
1Department of Chemistry, New York University, New York, NY, USA.
Abstract:
We describe a modular approach to identify and inhibit protein-protein interactions (PPIs) that are mediated by protein secondary and tertiary structures with rationally designed peptidomimetics. Our analysis begins with entries of high-resolution complexes in the Protein Data Bank and utilizes conformational sampling, scoring, and design capabilities of advanced biomolecular modeling software to develop peptidomimetics.
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