Researchers Use Molecular Dynamics and Machine Learning to Create ‘Hyper-predictive’ Computer Models for Drug Discovery
Denis Fourches uses molecular dynamics and machine learning to create hyper-predictive drug discovery models.
Researchers Release First Chemical Map of Dyes from Historic Dye Library
The first chemical “map” of dyes from the Max A. Weaver Dye Library has been released. The information could assist researchers in developing dyes with desirable properties.
Computer Simulations First Step Toward Designing New, More Efficient Amine Chemical Scrubbers
Molecular models aim to improve design of cheaper, more efficient amine chemicals to capture carbon dioxide.
Computer Models Could Allow Researchers to Better Understand, Predict Adverse Drug Reactions
Research explains what happens at the molecular level during severe allergic reactions to abacavir, an antiviral drug commonly given to treat HIV.
ORIED Announces Inaugural GRIP Winners
Four NC State research teams have been selected as the inaugural winners of the Game-Changing Research Incentive Program (GRIP), a three-year, $2.3 million seed-funding initiative designed to stimulate interdisciplinary and collaborative research in the Triangle.