The description of protein disordered states is important for understanding protein folding
mechanisms and their functions. In this short review, we briefly describe a simulation …

Fluctuations of protein three-dimensional structures and large-scale conformational
transitions are crucial for the biological function of proteins and their complexes …

Molecular docking of peptides to proteins can be a useful tool in the exploration of the
possible peptide binding sites and poses. CABS‐dock is a method for protein–peptide …

CABS-dock standalone is a multiplatform Python package for protein–peptide docking with
backbone flexibility. The main feature of the CABS-dock method is its ability to simulate …

Previous study has shown the antimicrobial activities of mucus protein extracted from
Anabas testudineus. In this study, we are interested in characterizing the anticancer activity …

Background Multiple sclerosis (MS) can be induced upon successful presentation of myelin
antigens by MHC I/II. Antigenic similarity between the myelin and viral proteins may worsen …

CABS-dock is a computational method for protein–peptide molecular docking that does not
require predefinition of the binding site. The peptide is treated as fully flexible, while the …

By binding to the spliceosomal protein Snu66, the human ubiquitin-like protein Hub1 is a
modulator of the spliceosome performance and facilitates alternative splicing. Small …

The structural description of peptide ligands bound to G protein-coupled receptors (GPCRs)
is important for the discovery of new drugs and deeper understanding of the molecular …

Most of the protein–protein docking methods treat proteins as almost rigid objects. Only the
side-chains flexibility is usually taken into account. The few approaches enabling docking …