Protein interactions are key in vital biological processes. In many cases, particularly in
regulation, this interaction is between a protein and a shorter peptide fragment. Such …

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 …

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 …

Protein-peptide interactions are often associated with large-scale conformational changes
that are difficult to study either by classical molecular modeling or by experiment. Recently …

Design of peptide binders is an attractive strategy for targeting “undruggable” protein-protein
interfaces. Current design protocols rely on the extraction of an initial sequence from one …

During the last two decades, the pharmaceutical industry has progressed from detecting
small molecules to designing biologic-based therapeutics. Amino acid-based drugs are a …