Polymorphism in the apolipoprotein E (APOE) gene is a major genetic risk determinant of
late-onset Alzheimer disease (AD), with the APOE* ε 4 allele conferring an increased risk …

Homology modeling is one of the computational structure prediction methods that are used
to determine protein 3D structure from its amino acid sequence. It is considered to be the …

Aims A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began
spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19 …

Aims A newly emerged Human Coronavirus (HCoV) is reported two months ago in Wuhan,
China (COVID-19). Until today> 2700 deaths from the 80,000 confirmed cases reported …

New treatment against SARS-CoV-2 now is a must. Nowadays, the world encounters a huge
health crisis by the COVID-19 viral infection. Nucleotide inhibitors gave a lot of promising …

This paper introduces ISOLDE, a new software package designed to provide an intuitive
environment for high-fidelity interactive remodelling/refinement of macromolecular models …

In biocatalysis, structural knowledge regarding an enzyme and its substrate interactions
complements and guides experimental investigations. Structural knowledge regarding an …

Predicting protein–ligand binding affinities and the associated thermodynamics of
biomolecular recognition is a primary objective of structure-based drug design. Alchemical …

The drug discovery process is a rocky path that is full of challenges, with the result that very
few candidates progress from hit compound to a commercially available product, often due …

The refinement and validation of a crystallographic structure model is the last step before the
coordinates and the associated data are submitted to the Protein Data Bank (PDB). The …