Comparative Dynamics and Functional Mechanisms of the CYP17A1 Tunnels Regulated by Ligand Binding. - Fei Xiao 022; Xingyu Song; Peiyi Tian; Mi Gan; Gennady M. Verkhivker; Guang Hu 001 (J. Chem. Inf. Model., 2020)

Dissecting mutational allosteric effects in alkaline phosphatases associated with different Hypophosphatasia phenotypes: An integrative computational investigation. - Fei Xiao 022; Ziyun Zhou; Xingyu Song; Mi Gan; Jie Long; Gennady Verkhivker; Guang Hu 001 (PLoS Comput. Biol., 2022)

protPheMut: An Interpretable Machine Learning Tool for Classification of Cancer and Neurodevelopmental Disorders in Human Missense Mutations. - Jingran Wang; Miao Yang; Chang Zong; Yuan Li; Gennady Verkhivker; Fei Xiao 022; Guang Hu 001 (J. Chem. Inf. Model., 2025)

Machine Learning and Structural Dynamics-Based Approach to Reveal Molecular Mechanism of PTEN Missense Mutations Shared by Cancer and Autism Spectrum Disorder. - Miao Yang; Jingran Wang; Ziyun Zhou; Wentian Li; Gennady Verkhivker; Fei Xiao 022; Guang Hu 001 (J. Chem. Inf. Model., 2025)