Protein structure and dynamics

RNA-binding protein

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

  1. 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.
  2. 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)