The use of coarse-grained (CG) models is a popular approach to study complex
biomolecular systems. By reducing the number of degrees of freedom, a CG model can …

The prediction of the tertiary structure of a protein from its primary sequence is a long-
standing problem for life science researchers. Solutions to this problem have a direct impact …

Protein sequence matching presently fails to identify many structures that are highly similar,
even when they are known to have the same function. The high packing densities in …

We used the Moran's I index of global spatial autocorrelation with the aim of studying the
distribution of the physicochemical or biological properties of amino acids within the genetic …

We present a computational model that allows for rapid prediction of correlations among a
set of residue pairs when the fluctuations of another set of residues are perturbed. The …

The difference between amino acid chemical properties that correlate to the exchangeability
of protein sequence residues is often analysed using approach proposed by Grantham …

The Miyazawa-Jernigan (MJ) contact potential for globular proteins is a widely used
knowledge-based potential. It is well known that MJ's contact energies mainly come from …

Proteins are regarded as being robust to the deleterious effects of mutations. Here, the
neutral emergence of mutational robustness in a population of single domain proteins is …

The classic results by Biro, Blalock and Root-Bernstein link genetic code nucleotide patterns
to amino acid properties, protein structure and interaction. This study explores the use of the …

Le docking moléculaire est une méthode permettant de prédire l'orientation d'une molécule
donnée relativement à une autre lorsque celles-ci forment un complexe. Le premier …