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ZDOCK predictions for the CAPRI challenge
Author(s) -
Chen Rong,
Tong Weiwei,
Mintseris Julian,
Li Li,
Weng Zhiping
Publication year - 2003
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.10388
Subject(s) - docking (animal) , computer science , fast fourier transform , complementarity (molecular biology) , algorithm , macromolecular docking , fourier transform , artificial intelligence , machine learning , computational chemistry , molecular dynamics , chemistry , mathematics , biology , medicine , nursing , genetics , mathematical analysis
The CAPRI Challenge is a blind test of protein–protein‐docking algorithms that predict the complex structure from the crystal structures of the interacting proteins. We participated in both rounds of this blind test and submitted predictions for all seven targets, relying mainly on our Fast Fourier Transform based algorithm ZDOCK that combines shape complementarity, desolvation, and electrostatics. Our group made good predictions for three targets and had at least some success with three others. Implications of the treatment of prior biological information as well as contributions of manual inspection to docking predictions are also discussed. Proteins 2003;52:68–73. © 2003 Wiley‐Liss, Inc.