Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …

Protein structure prediction (PSP) is an important scientific problem because it helps
humans to understand how proteins perform their biological functions. This paper models …

The ubiquitous presence of proteins in chemical pathways in the cell and their key role in
many human disorders motivates a growing body of protein modeling studies to unravel the …

Ab initio protein tertiary structure prediction is one of the long-standing problems in structural
bioinformatics. With the help of residue-residue contact and secondary structure prediction …

A memetic version between an evolutionary algorithm (differential evolution) and the local
search provided by protein fragment replacements was defined for protein structure …

Computational approaches to de novo protein tertiary structure prediction, including those
based on the preeminent “fragment-assembly” technique, have failed to scale up fully to …

We present an evolutionary stochastic search algorithm to obtain a discrete representation
of the protein energy surface in terms of an ensemble of conformations representing local …

De novo protein structure prediction aims to search for low-energy conformations as it
follows the thermodynamics hypothesis that places native conformations at the global …

Background Computational approaches for the determination of biologically-active/native
three-dimensional structures of proteins with novel sequences have to handle several …

Template-free protein structure prediction continues to be a challenging problem in
computational biology. State-of-the-art protocols are Monte Carlobased and pay special …