The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

Two decades after their discovery, stapled peptide methodologies have evolved to a point
where they can be used with confidence to generate therapeutic leads. Research groups …

Classical simulations of protein flexibility remain computationally expensive, especially for
large proteins. A few years ago, we developed a fast method for predicting protein structure …

Background Molecular docking studies on protein-peptide interactions are a challenging
and time-consuming task because peptides are generally more flexible than proteins and …

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 …

To penetrate solid tumors, low molecular weight (Mw< 10 KDa) compounds have an edge
over antibodies: their higher penetration because of their small size. Because of the dense …

Beta-amyloid (Aβ) has been recognized as an early trigger in the pathogenesis of
Alzheimer's disease (AD) leading to synaptic and cognitive impairments. Aβ can alter …

Protein-peptide interactions play an important role in many cellular processes. In silico
prediction of protein-peptide complex structure is highly desirable for mechanistic …

Motivation Protein–peptide interactions are one of the most important biological interactions
and play crucial role in many diseases including cancer. Therefore, knowledge of these …

The large family of C-type lectin (CLEC) receptors comprises carbohydrate-binding proteins
that require Ca2+ to bind a ligand. The prototypic receptor is the asialoglycoprotein receptor …