Researchers have developed DyME, an open-source platform that automates high-throughput mutagenesis, molecular dynamics ...

Quantum chemical methods underpin the accurate description of molecular structure and dynamics by solving the electronic Schrödinger equation within controlled approximations. Ab initio approaches ...

Enzymes are often described as molecular machines that recognize and process specific molecules. However, they are not rigid ...

A team of researchers has uncovered a previously unknown phenomenon that could improve the way we design materials at the molecular level. By unlocking a transformation between two types of structural ...