Enzymes are molecular machines that carry out the chemical reactions that sustain all life, an ability that has captured the attention of scientists like me. Consider muscle movement. Your body ...

Allostery, the coupling between ligand binding and protein conformational change, is the heart of biological network and it has often been explained by two representative models, the induced-fit and ...

Enzymes are molecular machines that bind substrates specifically, provide an adequate chemical environment for catalysis and exchange products rapidly, to ensure fast turnover rates. Direct ...

The conformational flexibility of target proteins continues to be a major challenge in accurate modeling of protein-inhibitor interactions. A fundamental issue, yet to be clarified, is whether the ...