Using a blend of computer modeling, structural and cell-based studies, scientists at The Wertheim UF Scripps Institute have ...

A chemotherapy drug used to fight bone-marrow cancer also has the potential to treat and prevent potentially deadly heart failure, a powerful new drug-screening tool developed at UVA Health suggests.

A University research team has developed an innovative computer model that could help researchers design drugs to treat sickle cell disease, which is currently incurable and lacks abundant or ...

Google DeepMind has expanded its AlphaFold AI system to not only predict the structure of proteins, but also to model how proteins interact with other cell structures, including DNA, RNA, and small ...

New computer models from North Carolina State University show how a variant of a common protein involved in human immune response binds to the antiviral drug abacavir, causing a severe ...

Using a blend of computer modeling, structural and cell-based studies, scientists at The Wertheim UF Scripps Institute have ...

Computer-aided drug design (CADD) that combines computational chemistry, molecular modeling, and rational drug design with artificial intelligence (AI) and machine learning is rapidly changing the ...

Inflation and the Covid-19 pandemic have put pharmaceutical productivity front and center in recent years. Thus, drug companies are under mounting pressure to prove that new treatments are safe and ...

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 ...