Year: 2012
Type: article
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.
Source: Bioinformatics
Authors: Lane Votapka, Rommie E. Amaro
Institution: University of California San Diego
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: bronze
Funder: National Institutes of Health
OpenAlex ID: W2106214583