protein-protein docking;
protein complexes;
protein-protein interactions;
complex structure;
D O I:
10.1002/prot.20560
中图分类号:
Q5 [生物化学];
Q7 [分子生物学];
学科分类号:
071010 ;
081704 ;
摘要:
We present a new version of the Protein-Protein Docking Benchmark, reconstructed from the bottom up to include more complexes, particularly focusing on more unbound-unbound test cases. SCOP (Structural Classification of Proteins) Was used to assess redundancy between the complexes in this version. The new benchmark consists of 72 unbound-unbound cases, with 52 rigid-body cases, 13 medium-difficulty cases, and 7 high-difficulty cases with substantial conformational change. In addition, we retained 12 antibody-antigen test cases with the antibody structure in the bound form. The new benchmark provides a platform for evaluating the progress of docking methods on a wide variety of targets. The new version of the benchmark is available to the public at http://zlab.bu.edu/benchmark2. (c) 2005 Wiley-Liss,Inc.
机构:
Boston Univ, Dept Biomed Engn, Boston, MA 02215 USABoston Univ, Dept Biomed Engn, Boston, MA 02215 USA
Porter, Kathryn A.
Desta, Israel
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机构:
Boston Univ, Dept Biomed Engn, Boston, MA 02215 USABoston Univ, Dept Biomed Engn, Boston, MA 02215 USA
Desta, Israel
Kozakov, Dima
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机构:
SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA
SUNY Stony Brook, Laufer Ctr Phys & Quantitat Biol, Stony Brook, NY 11794 USABoston Univ, Dept Biomed Engn, Boston, MA 02215 USA
Kozakov, Dima
Vajda, Sandor
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机构:
Boston Univ, Dept Biomed Engn, Boston, MA 02215 USA
Boston Univ, Dept Chem, 590 Commonwealth Ave, Boston, MA 02215 USABoston Univ, Dept Biomed Engn, Boston, MA 02215 USA
机构:
Canc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, EnglandCanc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, England
Torchala, Mieczyslaw
Moal, Iain H.
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机构:
Barcelona Supercomp Ctr, Dept Life Sci, Joint BSC IRB Res Program Computat Biol, Barcelona 08034, SpainCanc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, England
Moal, Iain H.
Chaleil, Raphael A. G.
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Canc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, EnglandCanc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, England
Chaleil, Raphael A. G.
Fernandez-Recio, Juan
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机构:
Barcelona Supercomp Ctr, Dept Life Sci, Joint BSC IRB Res Program Computat Biol, Barcelona 08034, SpainCanc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, England
Fernandez-Recio, Juan
Bates, Paul A.
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Canc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, EnglandCanc Res UK London Res Inst, Biomol Modelling Lab, London WC2A 3LY, England