Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling

Haohao Fu, Christophe Chipot, Xueguang Shao, Wensheng Cai. Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling. Journal of Chemical Information and Computer Sciences, 63(8):2512-2519, April 2023. [doi]

@article{FuCSC23,
  title = {Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling},
  author = {Haohao Fu and Christophe Chipot and Xueguang Shao and Wensheng Cai},
  year = {2023},
  month = {April},
  doi = {10.1021/acs.jcim.3c00487},
  url = {https://doi.org/10.1021/acs.jcim.3c00487},
  researchr = {https://researchr.org/publication/FuCSC23},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {63},
  number = {8},
  pages = {2512-2519},
}