Computational Assessment of Protein-protein Binding Affinity by Reversely Engineering the Energetics in Protein Complexes. - Bo Wang 165; Zhaoqian Su; Yinghao Wu (Genom. Proteom. Bioinform., 2021)

A computational study of co-inhibitory immune complex assembly at the interface between T cells and antigen presenting cells. - Zhaoqian Su; Kalyani Dhusia; Yinghao Wu (PLoS Comput. Biol., 2021)

Computational analyses of the interactome between TNF and TNFR superfamilies. - Kalyani Dhusia; Zhaoqian Su; Yinghao Wu (Comput. Biol. Chem., 2023)

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking. - Yunchao Liu 001; Ha Dong; Xin Wang 061; Rocco Moretti; Yu Wang 160; Zhaoqian Su; Jiawei Gu; Bobby Bodenheimer; Charles David Weaver; Jens Meiler; Tyler Derr (NeurIPS, 2024)

Machine-learning-based structural analysis of interactions between antibodies and antigens. - Grace Zhang; Xiaohan Kuang; Yuhao Zhang; Yunchao Liu 001; Zhaoqian Su; Tom Zhang; Yinghao Wu (Biosyst., 2024)

Encoding the space of protein-protein binding interfaces by artificial intelligence. - Zhaoqian Su; Kalyani Dhusia; Yinghao Wu (Comput. Biol. Chem., 2024)

SuperMetal: a generative AI framework for rapid and precise metal ion location prediction in proteins. - Xiaobo Lin; Zhaoqian Su; Yunchao Liu 001; Jingxian Liu; Xiaohan Kuang; Peter T. Cummings; Jesse Spencer-Smith; Jens Meiler (J. Cheminformatics, 2025)