A recent study carried out my a group from MIT has introduced MDGen, a generative modeling approach for molecular dynamics ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

The prestigious award is presented to AIChE members who have made an outstanding contribution to chemical engineering literature. Kofke, also the Walter E. Schmid Chair, is honored for his research on ...

Insights into molecular behaviors and predictive capabilities are bringing numerous benefits. The potential benefits afforded by molecular modeling when applied to formulation development are, in fact ...

Researchers from the Massachusetts Institute of Technology (MIT) Jameel Clinic for Machine Learning in Health have announced the open-source release of Boltz-2, which now predicts molecular binding ...