Traditional therapeutic approaches such as chemotherapy and radiation therapy have
burdened cancer patients with onerous physical and psychological challenges …

Abstract Structure-based virtual screening (SBVS) via docking has been used to discover
active molecules for a range of therapeutic targets. Chemical and protein data sets that …

The intracellular interactions of biomolecules can be maneuvered to redirect signaling,
reprogram the cell cycle, or decrease infectivity using only a few dozen atoms. Such …

A survey of protein databases indicates that the majority of enzymes exist in oligomeric
forms, with about half of those found in the UniProt database being homodimeric …

DNA aptamers have emerged as novel molecular tools in disease theranostics owing to
their high binding affinity and specificity for protein targets, which rely on their ability to fold …

The incorporation of noncanonical amino acids into proteins and protein-based materials
has significantly expanded the repertoire of available protein structures and chemistries …

Protein structure prediction is important for understanding their function and behavior. This
review study presents a comprehensive review of the computational models used in …

A fundamental endeavour in macromolecular science is the control of molecular-level
complexity, including molecular weight distribution, end groups and architecture. Since the …

Polyethylene terephthalate (PET) is a widely used polyester due to its beneficial material
properties and low cost. However, PET contributes significantly to the growing problem of …

Highlights•Protein kinases are dynamic with many functionally relevant states.•Multiple
methods provide insights into kinase dynamics and conformations.•NMR is a powerful …