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

Lookup NU author(s): Dr Graham Smith

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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. © 2005 Wiley-Liss, Inc.

Publication metadata

Author(s): Smith GR, Fitzjohn PW, Page CS, Bates PA

Publication type: Article

Publication status: Published

Journal: Proteins: Structure, Function and Genetics

Year: 2005

Volume: 60

Issue: 2

Pages: 263-268

ISSN (print): 0887-3585

ISSN (electronic): 1097-0134

Publisher: John Wiley & Sons, Inc.

URL: http://dx.doi.org/10.10021002/prot.205681002

DOI: 10.1002/prot.20568

PubMed id: 15981258

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