PepCrawler: A fast RRT-like algorithm for high-resolution refinement and binding-affinity estimation of peptide inhibitors

Elad Donsky, Haim J. Wolfson

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

Abstract

Design of protein-protein interaction (PPI) inhibitors is a key challenge in Structural Bioinformatics and Computer Aided Drug Design [1, 2]. Peptides, which partially mimic the interface area of one of the interacting proteins, are natural candidates to form protein-peptide complexes competing with the original PPI [3, 4]. Some inhibitory peptides were designed by deriving a short linear segment from one of the proteins in a given PPI complex [5-9]. These peptides were successfully able to inhibit interactions with the partner protein. The prediction of such complexes is especially challenging due to the high flexibility of peptide conformations.

Original languageEnglish
Title of host publicationAlgorithms in Bioinformatics - 11th International Workshop, WABI 2011, Proceedings
Pages73-75
Number of pages3
DOIs
StatePublished - 2011
Event11th Workshop on Algorithms in Bioinformatics, WABI 2011 - Saarbrucken, Germany
Duration: 5 Sep 20117 Sep 2011

Publication series

NameLecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
Volume6833 LNBI
ISSN (Print)0302-9743
ISSN (Electronic)1611-3349

Conference

Conference11th Workshop on Algorithms in Bioinformatics, WABI 2011
Country/TerritoryGermany
CitySaarbrucken
Period5/09/117/09/11

Keywords

  • PepCrawler
  • RRT
  • derived peptides
  • peptide inhibitors
  • protein-peptide docking
  • protein-protein interactions

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