Artificial intelligence (AI) in the form of deep learning has promise for drug discovery and
chemical biology, for example, to predict protein structure and molecular bioactivity, plan …

Traditionally, drugs are monovalent, targeting only one site on the protein surface. This
includes orthosteric and allosteric drugs, which bind the protein at orthosteric and allosteric …

G protein-coupled receptors (GPCRs), the largest family of human membrane proteins and
an important class of drug targets, play a role in maintaining numerous physiological …

Allosteric regulation is the most direct and efficient way of regulating protein function,
wherein proteins transmit the perturbations at one site to another distinct functional site …

Increasing data in allostery are requiring analysis of coupling relationships among different
allosteric sites on a single protein. Here, based on our previous efforts on reversed allosteric …

Allostery is a ubiquitous biological phenomenon where perturbation at topologically distal
areas of a protein serves as a trigger to fine-tune the orthosteric site and thus regulate …

Allostery is a fundamental and extensive mechanism of intramolecular signal transmission.
Allosteric drugs possess several unique pharmacological advantages over traditional …

Allostery is one of the cornerstones of biological function, as it plays a fundamental role in
regulating protein activity. The modelling of allostery has gradually moved from a …

It is imperative to identify the network of residues essential to the allosteric coupling for the
purpose of rationally engineering allostery in proteins. Deep mutational scanning analysis …

In this paper, an environmentally benign, convenient, and efficient one-pot three-component
reaction has been developed for the regioselective synthesis of novel 5-aroyl (or …