title: Multistructural hot spot characterization with FTProd.
abstract: 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.
  
  
  BACKGROUND
  FTProd is a freely available and open-source plug-in that can be downloaded at http://amarolab.ucsd.edu/ftprod.
authors.affiliation: Department of Chemistry and Biochemistry, University of California San Diego, La Jolla, CA 92093, USA.
authors.forename: Lane
authors.initials: L
authors.lastname: Votapka
authors.forename: Rommie E
authors.initials: RE
authors.lastname: Amaro
mesh_terms: D001665:Binding Sites; D056004:Molecular Dynamics Simulation; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012984:Software
chemical_list: D011506:Proteins