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.
Pig Model to Help Research on Human Knee Growth, Injury Treatment
New research shows how the knees of pigs and humans compare at various stages of maturity – a finding that will advance research by this group (and others) on injury treatment in young people.
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.
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.