ESyPred3D蛋白质三级结构预测精选.pdfVIP

BIOINFORMATICS Vol. 18 no. 9 2002 Pages 1250–1256 ESyPred3D: Prediction of proteins 3D structures ∗ ´ Christophe Lambert , Nadia Leonard, Xavier De Bolle and Eric Depiereux ´ ´ Facultes Universitaires Notre-Dame de la Paix, Unite de Recherche en Biologie ´ Moleculaire, Rue de Bruxelles, 61, B-5000 Namur, Belgium Received on February 1, 2002; revised on March 7, 2002; accepted on March 18, 2002 ABSTRACT Homology modeling is historically the first (Browne Motivation: Homology or comparative modeling is cur- et al., 1969) and the most accurate method (Sanchez rently the most accurate method to predict the three- and Sali, 1997). It was shown during the last CASP dimensional structure of proteins. It generally consists in experiment (Venclovas et al., 1999) (Critical Assessment four steps: (1) databanks searching to identify the struc- of Techniques for Proteins Structural Prediction) that tural homolog, (2) target–template alignment, (3) model the critical steps are: (1) template selection, (2) target– building and optimization, and (4) model evaluation. The template alignment step, (3) modeling of reg