Geometry-based flexible and symmetric protein docking

被引：160

作者：

Schneidman-Duhovny, D

Inbar, Y

Nussinov, R

Wolfson, HJ ^{[1
]}

机构：

[1] Tel Aviv Univ, Sch Comp Sci, Raymond & Beverly Sackler Fac Exact Sci, IL-69978 Tel Aviv, Israel

[2] NCI, Basic Res Program, SAIC Frederick Inc, Lab Expt & Computat Biol, Frederick, MD 21701 USA

[3] Tel Aviv Univ, Sackler Fac Med, Dept Human Genet & Mol Med, IL-69978 Tel Aviv, Israel

来源：

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS | 2005年 / 60卷 / 02期

关键词：

CAPRI; unbound docking; flexible docking; symmetric docking; PatchDock; FlexDock; SymmDock;

D O I：

10.1002/prot.20562

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 set of geometric docking algorithms for rigid, flexible, and cyclic symmetry docking. The algorithms are highly efficient and have demonstrated very good performance in CAPRI Rounds 3-5. The flexible docking algorithm, FlexDock, is unique in its ability to handle any number of hinges in the flexible molecule, without degradation in run-time performance, as compared to rigid docking. The algorithm for reconstruction of cyclically symmetric complexes successfully assembles multimolecular complexes satisfying C. symmetry for any n in a matter of minutes on a desktop PC. Most of the algorithms presented here are available at the Tel Aviv University Structural Bioinformatics Web server (http://bioinfo3d.cs. tau.ac.il/). (c) 2005 Wiley-Liss, Inc.

引用

页码：224 / 231

页数：8

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