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Microsoft Research Blog
From static prediction to dynamic characterization: AI2BMD advances protein dynamics with ab initio accuracy
| Tong Wang, Yatao Li, Ran Bi, Haiguang Liu, and Tao Qin
Microsoft Research’s AI2BMD, an AI-based system that efficiently simulates a wide range of proteins in all-atom resolution, can advance drug discovery and biomolecular research.
Microsoft Research Blog
ViSNet: A general molecular geometry modeling framework for predicting molecular properties and simulating molecular dynamics
| Tong Wang, Bin Shao, and Tie-Yan Liu
Molecular geometry modeling is a powerful tool for understanding the intricate relationships between molecular structure and biological activity – a field known as structure-activity relationships (SAR). The main premise of SAR is that the biological activity of a molecule is…