Modeling and design of peptidomimetics to modulate protein–protein interactions

Research output: Chapter in Book/Report/Conference proceedingChapter

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.

Original languageEnglish (US)
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Pages291-307
Number of pages17
DOIs
StatePublished - Jan 1 2017

Publication series

NameMethods in Molecular Biology
Volume1561
ISSN (Print)1064-3745

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Keywords

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

ASJC Scopus subject areas

  • Molecular Biology
  • Genetics

Cite this

Watkins, A. M., Bonneau, R., & Arora, P. S. (2017). Modeling and design of peptidomimetics to modulate protein–protein interactions. In Methods in Molecular Biology (pp. 291-307). (Methods in Molecular Biology; Vol. 1561). Humana Press Inc.. https://doi.org/10.1007/978-1-4939-6798-8_17