The field of computational chemistry has seen a significant increase in the integration of
machine learning concepts and algorithms. In this Perspective, we surveyed 179 open …

In recent years, the use of integrative, information-driven computational approaches for
modeling the structure of biomolecules has been increasing in popularity. These are now …

This work aimed to determine the antioxidant properties of identified hydrolyzed oat proteins
and peptides, and their capacity to inhibit lipase and α‐amylase. The protein hydrolysates …

In dairy science, camel milk (CM) constitutes a center of interest for scientists due to its
known beneficial effect on diabetes as demonstrated in many in vitro, in vivo, and clinical …

More than 930,000 protein–protein interactions (PPIs) have been identified in recent years,
but their physicochemical properties differ from conventional drug targets, complicating the …

Gene mutations and functional inhibition are the major obstacles for p53‐mediated
oncotherapy. For p53‐wild‐type tumors, the underlying mechanisms of functional inhibition …

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 …

One of the key features of intrinsically disordered regions (IDRs) is their ability to interact
with a broad range of partner molecules. Multiple types of interacting IDRs were identified …

The CABS model can be applied to a wide range of protein-protein and protein-peptide
molecular modeling tasks, such as simulating folding pathways, predicting structures …