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

ABSTRACT: 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.SimiCon is freely available at http://abagyan.ucsd.edu/SimiCon

SUBMITTER: Rueda M

PROVIDER: S-EPMC2981495 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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

Rueda Manuel M Katritch Vsevolod V Raush Eugene E Abagyan Ruben R

Bioinformatics (Oxford, England) 20100924 21

<h4>Summary</h4>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.<h4>Availability</h4> ...[more]

PMID: 20871105

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