You are here

BACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures

TitleBACHSCORE. A tool for evaluating efficiently and reliably the quality of large sets of protein structures
Publication TypeJournal Article
Year of Publication2013
AuthorsSarti, E, Zamuner, S, Cossio, P, Laio, A, Seno, F, Trovato, A
JournalComputer Physics Communications
Volume184
Issue12
Pagination2860 - 2865
Date Published2013/12/01/
ISBN Number0010-4655
KeywordsModel quality assessment, Protein structure prediction, scoring function, Solvation energy, Statistical potential, Web server
Abstract

In protein structure prediction it is of crucial importance, especially at the refinement stage, to score efficiently large sets of models by selecting the ones that are closest to the native state. We here present a new computational tool, BACHSCORE, that allows its users to rank different structural models of the same protein according to their quality, evaluated by using the BACH++ (Bayesian Analysis Conformation Hunt) scoring function. The original BACH statistical potential was already shown to discriminate with very good reliability the protein native state in large sets of misfolded models of the same protein. BACH++ features a novel upgrade in the solvation potential of the scoring function, now computed by adapting the LCPO (Linear Combination of Pairwise Orbitals) algorithm. This change further enhances the already good performance of the scoring function. BACHSCORE can be accessed directly through the web server:  bachserver.pd.infn.it

 

URLhttps://www.sciencedirect.com/science/article/pii/S0010465513002488
Short TitleComputer Physics Communications