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Automatic prediction of protein interactions with large scale motion
Author(s) -
SchneidmanDuhovny Dina,
Nussinov Ruth,
Wolfson Haim J.
Publication year - 2007
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.21759
Subject(s) - docking (animal) , hinge , computer science , scale (ratio) , protein structure , biological system , chemistry , physics , biology , biochemistry , classical mechanics , medicine , nursing , quantum mechanics
Proteins often change their conformation upon binding to other molecules. Taking these conformational changes into account in docking is an extremely difficult task: the larger the scale of the motion the harder it is to predict the structure of the association complex. Here, we present a fully automated method for flexible docking with large scale motion in one of the docked molecules. The method automatically identifies hinge regions and rigid parts and then docks the input molecules while explicitly considering the hinges and possible protein motions. Proteins 2007. ©2007 Wiley‐Liss, Inc.