COSMIC (molecular conformation space modeling in internal coordinates) can provide important insights into the 3D positioning and activity of molecules to help drive decisions about drug design. While ...

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 ...

A rotating cylinder with its side cut away to expose the core, showing patches of purple, blue, green, yellow, and orange that are dense in the middle and more diffuse toward the edges. This rotating ...

You may have noticed that the rock formations are very different colors. The rock formations on the left are from Red Rock State Park in Texas, and on the right is El Capitan Mountain in Yosemite ...

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 ...

Juan Casado Cordón, Professor of Physical Chemistry at the University of Malaga, considers graphene—an infinite layer of carbon atoms—as one of the greatest discoveries of the last 20 years due to its ...