Protein structure and dynamics
We work on disorder RNA-binding proteins and enzyme-catalyzed reactions. Molecular dynamics and QM/MM techniques are applied to investigate the structure and dynamics of biomolecules.
Related Publications
- W. Ren, K. Jiang, H. Deng, N. Lu, T. Yu*, H. Guo*, P. Qian* Catalytic mechanism and product specificity of protein arginine methyltransferase PRMT7: A study from QM/MM molecular dynamics and free energy simulations. J. Chem. Theory Comput. 2020, 16, 8, 5301.
- T. Yu, J. M. Higashi, A. Cembran, J. Gao, and D. G. Truhlar, Concerted hydrogen atom and electron transfer mechanism for catalysis by lysine-specific demethylase. J. Phys. Chem. B 2013, 117, 8422. (Cover Article)