An increasing number of studies using molecular dynamics (MD) simulations of unfolded
and intrinsically disordered proteins (IDPs) suggest that current force fields sample …

Solution techniques such as small-angle X-ray scattering (SAXS) play a central role in
structural studies of intrinsically disordered proteins (IDPs); yet, due to low resolution, it is …

Halogen bonds (XBs) are noncovalent interactions where halogen atoms act as electrophilic
species interacting with Lewis bases. These interactions are relevant in biochemical …

A density-based clustering method is proposed that is deterministic, computationally
efficient, and self-consistent in its parameter choice. By calculating a geometric coordinate …

Ribosomal action is facilitated by the orchestrated work of trans-acting factors and ribosomal
elements, which are subject to regulatory events, often involving phosphorylation. One such …

Phosphorylation is a common post-translational modification among intrinsically disordered
proteins and regions, which helps regulate function by changing the protein conformations …

Protein–protein association is often mediated by electrostatic interactions and modulated by
pH. However, experimental and computational studies have often overlooked the effect of …

Cyclic peptides have recently emerged as promising modulators of protein–protein
interactions. However, it is currently highly difficult to predict the structures of cyclic peptides …

Cyclic peptides are a promising class of molecules that can be used to target specific protein–
protein interactions. A computational method to accurately predict their structures would …

Phosphorylation is one of the most abundant types of post-translational modifications of
intrinsically disordered proteins (IDPs). This study examines the conformational changes in …