Lin Shenand Hao Hu*. Resolution-adapted all-atomic and coarse-grained model for biomolecular simulations. J. Chem. Theory Comput.,10, 2528 (2014).
Hao Hu* andLin Shen. In silico concurrent multisite pH titration in proteins. J. Comput. Chem.,35, 1491 (2014).
Lin Shenand Weitao Yang*. Quantum mechanics / molecular mechanics method combined with hybrid all-atom and coarse-grained model: theory and application on redox potential calculations. J. Chem. Theory Comput.,12, 2017 (2016).
Lin Shen, Jingheng Wu, and Weitao Yang*. Multiscale quantum mechanics / molecular mechanics simulations with neural networks. J. Chem. Theory Comput.,12, 4934 (2016).
Liangxu Xie,Lin Shen, Zhe-Ning Chen*, and Mingjun Yang*. Efficient free energy calculations by combining two complementary tempering sampling methods. J. Chem. Phys.,146, 024103 (2017).等