Molecular simulation methods, such as molecular docking, molecular dynamic (MD)
simulation, and quantum chemical (QC) calculation, have become popular as …

Many mutations disappear from the population because they impair protein function and/or
stability. Thus, amino acid positions that are essential for proper function evolve more slowly …

Abstract Since 1992 PredictProtein (https://predictprotein. org) is a one-stop online resource
for protein sequence analysis with its main site hosted at the Luxembourg Centre for …

The degree of evolutionary conservation of an amino acid in a protein or a nucleic acid in
DNA/RNA reflects a balance between its natural tendency to mutate and the overall need to …

The emergence of SARS-CoV-2 variants stressed the demand for tools allowing to interpret
the effect of single amino acid variants (SAVs) on protein function. While Deep Mutational …

INTRODUCTION MicroRNAs (miRNAs) are short RNAs that direct widespread gene
repression in the cells of humans and other animals. Each miRNA associates with an …

It is informative to detect highly conserved positions in proteins and nucleic acid
sequence/structure since they are often indicative of structural and/or functional importance …

Abstract 3DLigandSite is a web server for the prediction of ligand-binding sites. It is based
upon successful manual methods used in the eighth round of the Critical Assessment of …

ACMG previously developed recommendations for standards for interpretation of sequence
variations. We now present the updated revised recommendations. Here, we describe six …

Allosteric drug development holds promise for delivering medicines that are more selective
and less toxic than those that target orthosteric sites. To date, the discovery of allosteric …