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


BACKGROUND
SimiCon is freely available at http://abagyan.ucsd.edu/SimiCon
Rueda
Manuel
M
UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California-San Diego, La Jolla, CA 92093, USA.
Katritch
Vsevolod
V
Raush
Eugene
E
Abagyan
Ruben
R
D003196:Computer Graphics; D030562:Databases, Protein; D020407:Internet; D008024:Ligands; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*; D012984:Software
D008024:Ligands; D011506:Proteins