Computational Analysis of Structural Dynamics of EGFR and its Mutants. - Rizwan Qureshi; Mengxu Zhu; Avirup Ghosh; Hong Yan 001 (BIBM, 2019)

Geometrical Features of Epidermal Growth Factor Receptor-Related Dimers Reveal the Mechanisms of Drug Resistance in Lung Cancer Patients. - Mengxu Zhu; Rizwan Qureshi; Hong Yan 001 (IEEE Access, 2021)

Computationally predicting binding affinity in protein-ligand complexes: free energy-based simulations and machine learning-based scoring functions. - Debby Dan Wang; Mengxu Zhu; Hong Yan 001 (Briefings Bioinform., 2021)

Visualization of Protein-Drug Interactions for the Analysis of Drug Resistance in Lung Cancer. - Rizwan Qureshi; Mengxu Zhu; Hong Yan 001 (IEEE J. Biomed. Health Informatics, 2021)

Computational Analysis of Receptor-Binding Domains of SARS-CoV-2 to Reveal the Mechanism of Immune Escape. - Mengxu Zhu; Kongyan Li; Hong Yan 001 (BIBM, 2022)

Deep Signature: Characterization of Large-Scale Molecular Dynamics. - Tiexin Qin; Mengxu Zhu; Chunyang Li; Terry Lyons; Hong Yan 001; Haoliang Li (ICLR, 2025)