Xinyu Wang (王馨宇)

/ʃin-yu wɑŋ/

I am a third year PhD student in the Department of Computer Science at Virginia Tech advised by Prof. Debswapna Bhattacharya. My research interests lie in machine learning and its applications to scientific problems. The goal of my research is to better understand and design 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  /  Github  /  LinkedIn  /  Google Scholar  / 

Publications

ORIGAMI: Orientation-Aware Graph Neural Network for Assessing Multimeric Interfaces of Protein Complex Structures
Xinyu WANG, Debswapna Bhattacharya ^*
Journal of Chemical Information and Modeling / Paper / Preprint / GitHub

xBind: an integrated webserver for large language model-enabled cross-molecular protein binding site prediction
Xinyu WANG^†, Xingyue Feng ^†, Sumit Tarafder , Debswapna Bhattacharya^*
Nucleic Acids Research / Paper / Website

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

• [2026/04/09]Congrats to my advisor on the NIH award and feature in Virginia Tech News!
• [2026/05/05]My first author paper xBind has been published in Nucleic Acids Research! Check out our website
• [2026/06/03]My first author paper ORIGAMI is now available on bioRxiv!
• [2026/07/12]I will be attending ISMB 2026 in Washington, DC, from July 12–16 to present our work, ORIGAMI.
• [2026/07/13]My first author paper ORIGAMI has been published in Journal of Chemical Information and Modeling!

Misc

- I enjoy playing tennis and doing reformer Pilates, and I also like trying new sports.
- I seize every chance I get to travel, especially to islands.
- I have a lilac golden shaded cat named Fun.

Service

- Reviewer for:ISMB2025,2026,Communication Chemistry,Bioinformatics Advances