1.Milestoning with wind: Exploring the impact of a biasing potential in exact cal culation of kinetics H. Wang and R. Elber,J. Chem. Phys.152, 224105 (2020) 2.Exploring the reaction mechanism of HIV reverse transcriptase with a nucleotide substrate H. Wang, N. Huang, T. Dangerfield, K. A. Johnson, J. Gao, and R. Elber,J. Phys. Chem. B124, 21, 4270-4283 (2020) 3.Toward building protein force fields by residue-based systematic molecular fragmentation and neural network H. Wang and W. Yang,J. Chem. Theory Comput.15, 2, 1409-1417 (2019) 4.Force field for water based onneural network H. Wang and W. Yang,J. Phys. Chem. Lett.9, 12, 3232-3240 (2018). 5.Determining polarizable force fieldswith electrostatic potentials from quantum mechanical linear response theory H. Wang and W. Yang,J. Chem. Phys.114, 224107 (2016) |
