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BIOINFORMATICS APPLICATIONS NOTE Vol. 26 no. 21 2010, pages 27842785
 

Summary: BIOINFORMATICS APPLICATIONS NOTE
Vol. 26 no. 21 2010, pages 2784­2785
doi:10.1093/bioinformatics/btq504
Structural bioinformatics Advance Access publication September 24, 2010
SimiCon: a web tool for protein­ligand model comparison through
calculation of equivalent atomic contacts
Manuel Rueda1, Vsevolod Katritch1, Eugene Raush2 and Ruben Abagyan1,2,
1UCSD Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla,
CA 92093 and 2Molsoft, LLC, 3366 North Torrey Pines Court, Suite 300, La Jolla, CA 92037, USA
Associate Editor: Anna Tramontano
ABSTRACT
Summary: SimiCon is a web server designed for an automated
identification of equivalent protein­ligand 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.
Availability: SimiCon is freely available at http://abagyan.ucsd.edu/

  

Source: Abagyan, Ruben - School of Pharmacy and Pharmaceutical Sciences, University of California at San Diego

 

Collections: Biology and Medicine