More than a hundred experts in molecular simulation have published a paper in the journal Nature Methods calling for a paradigm shift in molecular dynamics data management.

A new study led by a pair of researchers at the University of Massachusetts Amherst turns long-held conventional wisdom about ...

KAUST is part of an international collaboration that has demonstrated how an ionic salt molecule, known as CPMAC, can ...

In a chemistry context, the importance of models derives from the fact that molecular changes are not often directly observable. In constructing a model, the choice of representation depends on the ...

"Prepare for your face to look like it was kissed by angels (and snails)." — a reviewer after experiencing this much-hyped ...