Proteins. 2005 Aug 1;60(2):263-8.

Incorporation of flexibility into rigid-body docking: applications in rounds 3-5 of CAPRI.

Smith GR, Fitzjohn PW, Page CS, Bates PA.

Source

Biomolecular Modelling Laboratory, Cancer Research U.K. London Research Institute, Lincoln's Inn Fields Laboratories, London, United Kingdom.

Abstract

We have submitted models for all 9 targets in Rounds 3-5 of CAPRI and have predicted at least 30% of the correct contacts for 4 of the targets and at least 10% of the correct contacts for another 4 targets. We have employed a variety of techniques but have had the greatest success by combining established rigid-body docking with a variety of initial conformations generated by molecular dynamics.

PMID:: 15981258; [PubMed - indexed for MEDLINE]

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Incorporation of flexibility into rigid-body docking: applications in rounds 3-5 of CAPRI.

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