Hengzheng Yang

Computational Study on the Effect of Inactivating/Activating Mutations on the Inhibition of MEK1 by Trametinib

Weiwei Han, Jingxuan Zhu, Congcong Li, 2020, International journal of molecular sciences.

Molecular mechanisms of metal ions in regulating the catalytic efficiency of D-psicose 3-epimerase revealed by multiple short molecular dynamic simulations and free energy predictions

Weiwei Han, Jin Tao, Yi Li, 2020, Journal of biomolecular structure & dynamics.

Using Gaussian accelerated molecular dynamics combined with Markov state models to explore the mechanism of action of new oral inhibitors on Complex I.

Hengzheng Yang, Fangfang Guo, Chengxiang Hu, 2024, Computers in biology and medicine.

Elucidating the structural basis of vitamin B12 derivatives as novel potent inhibitors of PTP1B: Insights from inhibitory mechanisms using Gaussian accelerated molecular dynamics (GaMD) and in vitro study.

Hengzheng Yang, Shu Xing, Wannan Li, 2024, International journal of biological macromolecules.

Building a Kokumi Database and Machine Learning-Based Prediction: A Systematic Computational Study on Kokumi Analysis

Hengzheng Yang, Kaifeng Liu, Weiwei Han, 2024, J. Chem. Inf. Model..

Probing the mechanisms of hydrazide-based HDAC inhibitors binding to HDAC3 using Gaussian accelerated molecular dynamics (GaMD) simulations.

Hengzheng Yang, Fangfang Guo, Wannan Li, 2023, Journal of biomolecular structure & dynamics.