Incorporation of flexibility into rigid‐body docking: Applications in rounds 3–5 of CAPRI | Zendy

Smith Graham R. | Zendy; Fitzjohn Paul W. | Zendy; Page Christopher S. | Zendy; Bates Paul A. | Zendy

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

Author(s) -

Smith Graham R.,

Fitzjohn Paul W.,

Page Christopher S.,

Bates Paul A.

Publication year - 2005

Publication title -

proteins: structure, function, and bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.699

H-Index - 191

eISSN - 1097-0134

pISSN - 0887-3585

DOI - 10.1002/prot.20568

Subject(s) - docking (animal) , rigid body , variety (cybernetics) , computer science , computational biology , biology , physics , artificial intelligence , medicine , classical mechanics , nursing

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. Proteins 2005;60:263–268. © 2005 Wiley‐Liss, Inc.

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