Mechanosensitive Piezo1 and Piezo2 channels transduce various forms of mechanical
forces into cellular signals that play vital roles in many important biological processes in …

Piezo proteins are transmembrane ion channels which transduce many forms of mechanical
stimuli into electrochemical signals. Their pore, formed by the assembly of three identical …

To understand how protein function changes upon an allosteric perturbation, such as ligand
binding and mutation, significant progress in characterizing allosteric network from …

Mechanosensitive Piezo1 channels are essential mechanotransduction proteins in
eukaryotes. Their curved transmembrane domains, called arms, create a convex membrane …

Reversible covalent inhibitors have many clinical advantages over noncovalent or irreversible
covalent drugs. However, apart from selecting a warhead, substantial efforts in design and …

Resveratrol, a natural compound found in red wine and various vegetables, has drawn
increasing interest due to its reported benefit in cardiovascular protection, neurodegenerative …

Continuum solvent models have been widely used in biomolecular modeling applications.
Recently much attention has been given to inclusion of implicit membranes into existing …

Membrane proteins, due to their roles as cell receptors and signaling mediators, make prime
candidates for drug targets. The computational analysis of protein–ligand binding affinities …

Membrane protein systems are important computational research topics due to their roles in
rational drug design. In this study, we developed a continuum membrane model utilizing a …

Cell–surface polysaccharides are essential to many aspects of physiology, serving as a
highly conserved evolutionary feature of life and as an important part of the innate immune …