computational modeling

Sygnature’s Computational Chemistry department have spent the past year looking at how augmented reality can be applied to drug discovery

The model will help predict the behavior of water at the surface of hexagonal boron nitride

Computational method helps scientists examine microbes at a larger, more comprehensive scale than previously possible

Applications in chemistry, clinical, and pharmaceutical labs hold promise—with reservation

New model sheds light on how nature generates diverse patterns

Syracuse University Earth scientists are changing the way they study the geological record, thanks to new advances in three-dimensional modeling

Using a complex modeling program that helps analyze the physical dynamics of large, structurally complex protein molecules, a research team has made progress towards finding a weak spot in the architecture of a group of enzymes that are essential to antibiotic resistance in a number of bacteria.

Janelia researchers speed process with new computational method.

TUSCALOOSA, Ala. — Two of the nation’s fastest supercomputers will aid a research team, led by a University of Alabama computational chemist, in guiding both the development of new nuclear fuels and clean-up efforts from past nuclear fuel and weapon production.