Modeling and design of peptidomimetics to modulate protein–protein interactions

Andrew M. Watkins, Richard Bonneau, Paramjit S. Arora

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

4 Scopus citations


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.

Original languageEnglish
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Number of pages17
StatePublished - 2017
Externally publishedYes

Publication series

NameMethods in Molecular Biology
ISSN (Print)1064-3745


  • Computational design
  • Inhibitor design
  • Peptidomimetics
  • Protein–protein interactions


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