平衡态与非平衡态分子溶剂化自由能的计算效率比较
李鹏飞, 王美婷, 梅晔
Comparison of the efficiency of equilibrium and nonequilibrium molecular dynamic simulations of molecular solvation free energies
LI Peng-fei, WANG Mei-ting, MEI Ye
华东师范大学学报（自然科学版） . 2019, (1): 83 -92 .  DOI: 10.3969/j.issn.1000-5641.2019.01.010