Portrait of Tong Wang

Tong Wang

Senior Researcher

News & features

Outlined illustrations of Tong Wang and Bonnie Kruft for the Microsoft Research Podcast, Abstracts series.
Microsoft Research Podcast

| Bonnie Kruft and Tong Wang

The efficient simulation of molecules has the potential to change how the world understands biological systems and designs new drugs and biomaterials. Tong Wang discusses AI2BMD, an AI-based system designed to simulate large biomolecules with speed and accuracy.

AI2BMD blog hero - illustration of a chip with network nodes extending from all sides
Microsoft Research Blog

| 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.

The general model architecture of ViSNet. (a) Model sketch of ViSNet. ViSNet embeds the 3D structures of molecules and extracts the geometric information through a series of ViSNet blocks and outputs the molecule properties such as energy, forces, and HOMO-LUMO gap through an output block. (b) Flowchart of one ViSNet Block. One ViSNet block consists of two modules: i) Scalar2Vec, responsible for attaching scalar embeddings to vectors.; ii) Vec2Scalar. The inputs of Scalar2Vec are the node embedding, edge embedding, direction unit and the relative positions between two atoms.
Microsoft Research Blog

| 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…