▪ Abstract Comparative modeling predicts the three-dimensional structure of a given protein
sequence (target) based primarily on its alignment to one or more proteins of known …

Homology modeling plays a central role in determining protein structure in the structural
genomics project. The importance of homology modeling has been steadily increasing …

We describe a comparative protein modelling method designed to find the most probable
structure for a sequence given its alignment with related structures. The three dimensional …

Publisher Summary Functional characterization of a protein sequence is one of the most
frequent problems in biology. This task is usually facilitated by accurate three-dimensional …

We evaluate 3D models of human nucleoside diphosphate kinase, mouse cellular retinoic
acid binding protein I, and human eosinophil neurotoxin that were calculated by Modeller, a …

The inhibition of protein–protein interactions is a growing strategy in drug development. In
addition to structured regions, many protein loop regions are involved in protein–protein …

A long standing problem in structural bioinformatics is to determine the three-dimensional (3-
D) structure of a protein when only a sequence of amino acid residues is given. Many …

Abstract Knowledge of the three-dimensional structures of protein targets now emerging
from genomic data has the potential to accelerate drug discovery greatly. X-ray …

Knowledge based potentials and energy functions are extracted from a number of
databases of known protein structures. Recent developments have shown that this type of …

Major goal of structural biology involve formation of protein-ligand complexes; in which the
protein molecules act energetically in the course of binding. Therefore, perceptive of protein …