Literature DB >> 23202744

Multistructural hot spot characterization with FTProd.

Lane Votapka1, Rommie E Amaro.   

Abstract

UNLABELLED: Computational solvent fragment mapping is typically performed on a single structure of a protein to identify and characterize binding sites. However, the simultaneous analysis of several mutant structures or frames of a molecular dynamics simulation may provide more realistic detail about the behavior of the sites. Here we present a plug-in for Visual Molecular Dynamics that streamlines the comparison of the binding configurations of several FTMAP-generated structures. AVAILABILITY: FTProd is a freely available and open-source plug-in that can be downloaded at http://amarolab.ucsd.edu/ftprod.

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Year:  2012        PMID： 23202744      PMCID： PMC3562065          DOI： 10.1093/bioinformatics/bts689

Source DB:  PubMed          Journal:  Bioinformatics        ISSN： 1367-4803            Impact factor:   6.937


  13 in total

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