Recent improvements of a hierarchical ab initio or de novo approach for predicting both α
and β structures of proteins are described. The united-residue energy function used in this …

This study describes a computational method for ab inito protein structure prediction. Protein
conformation has been modeled by using six optimized backbone torsion angles and fixed …

A hierarchical approach based exclusively on finding the global minimum of an appropriate
potential energy function, without the aid of secondary structure prediction, multiple …

An approach based exclusively on finding the global minimum of an appropriate potential
energy function has been used to predict the unknown structures of five globular proteins …

In the past years, much effort has been put on the development of new methodologies and
algorithms for the prediction of protein secondary and tertiary structures from (sequence) …

As part of the third Critical Assessment of Structure Prediction meeting (CASP3), we predict
the three‐dimensional structures for 13 proteins using a hierarchical approach. First, all …

Predicting a protein's structure from its amino acid sequence remains an unsolved problem
after several decades of efforts. If the query protein has a homolog of known structure, the …

Ab initio folding simulations have been performed on three peptides, using a genetic
algorithm‐based search method which operates on a full atom representation …

A protein energy surface is constructed. Validation is through applications of global energy
minimization to surface loops of protein crystal structures. For 9 of 10 predictions, the native …

We have developed a computational method for accurately predicting the conformation of
side-chain atoms when building a protein structure from a known homologous structure. A …