SimiCon: A web tool for protein-ligand model comparison through calculation of equivalent atomic contacts

Abstract

Summary: 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. © The Author 2010. Published by Oxford University Press. All rights reserved.