SimiCon: a web tool for protein–ligand model comparison through calculation of equivalent atomic contacts
Author(s) -
Manuel Rueda,
Vsevolod Katritch,
Eugene Raush,
Ruben Abagyan
Publication year - 2010
Publication title -
bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 3.599
H-Index - 390
eISSN - 1367-4811
pISSN - 1367-4803
DOI - 10.1093/bioinformatics/btq504
Subject(s) - computer science , graphics , web server , web browser , software , identification (biology) , computer graphics , web application , computational science , world wide web , computer graphics (images) , the internet , operating system , biology , botany
SimiCon is a web server designed for an automated identification of equivalent protein-ligand atomic contacts in different conformational models of a complex. The contacts are computed with internal coordinate mechanics (ICM) software with respect to molecular symmetry and the results are shown in the browser as text, tables and interactive 3D graphics. The web server can be executed remotely without a browser to allow users to automate multiple calculations.
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