"Dr. Domanski embodies the spirit of OpenFold: a deep scientific understanding of proteins coupled with professional engineering expertise and a builder's mindset," said Dr. Woody Sherman, Chair of ...

A milestone report from the University of Kansas appearing this week in the Proceedings of the National Academy of Sciences proposes a new technique for modeling molecular life with computers.

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 ...

"We want to understand how molecules move, twist and function," said Jesse Hall, a physics doctoral candidate who worked with theoretical physical chemistry professor Marina Guenza to develop the new ...

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 ...

Genesis’ proprietary foundation model – Pearl – outperforms frontier models, including AlphaFold 3, on key benchmarks that predict utility in real-world drug discovery Pearl’s performance improved ...

The choreographed movements that cells perform to form complex biological shapes, like our hands, have fascinated scientists for centuries. Now, researchers at EMBL Barcelona have launched LimbNET, an ...

Hydration modulates aromatic interactions, explaining why Tyr is a stronger sticker than Phe in aqueous environments like protein condensates but not in the cores of folded proteins.

Researchers have used cryo-EM and computational tools to visualize ribozyme assembly, shedding light on life's most versatile molecule.