Xinyu Wang (王馨宇)

/ʃin-yu wɑŋ/

I am a second year PhD student in the Department of Computer Science at Virginia Tech advised by Prof. Debswapna Bhattacharya. My goal is to leverage machine learning algorithms for molecular modeling and model evaluation to enhance our understanding of macromolecules—particularly proteins and protein-RNA complexes.

During my undergraduate studies, I had the privilege of interning as a summer intern at Purdue University, as well as with the AI for Science group at Zhejiang Lab and the Institute of Science and Technology for Brain-Inspired Intelligence (ISTBI) at Fudan University. Prior to joining Virginia Tech, I earned a Bachelor’s Degree in Software Engineering from University of Electronic Science and Technology of China.

Email  /  CV  /  Github  /  LinkedIn  /  Twitter

Publications

ORIGAMI: Orientation-Aware Graph Neural Network for Assessing Multimeric Interfaces of Protein Complex Structures
Xinyu WANG, Debswapna Bhattacharya^*
Under review at ISMB 2026

xBind: an integrated webserver for large language model-enabled cross-molecular protein binding site prediction
Xinyu WANG^†, Xingyue Feng ^†, Sumit Tarafder , Debswapna Bhattacharya^*
Under review at NAR Web Server Issue

Advances in Language-Model-Informed Protein–Nucleic Acid Binding Site Prediction
Sumit Tarafder , Xinyu WANG, Rahmatullah Roche , Debswapna Bhattacharya^*
Methods in Molecular Biology / Paper

† Equal contribution. * Corresponding author.

News

- Reviewed 1 paper as a subreviewer for ISMB/ECCB 2025

Misc

- In my spare time, I enjoy playing tennis and doing pilates, and I also like trying new sports.
- I love traveling, especially to islands.