Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields

Zhe Huai, Zhaoxi Shen, Zhaoxi Sun. Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields. Journal of Chemical Information and Computer Sciences, 61(1):284-297, 2021. [doi]

@article{HuaiSS21,
  title = {Binding Thermodynamics and Interaction Patterns of Inhibitor-Major Urinary Protein-I Binding from Extensive Free-Energy Calculations: Benchmarking AMBER Force Fields},
  author = {Zhe Huai and Zhaoxi Shen and Zhaoxi Sun},
  year = {2021},
  doi = {10.1021/acs.jcim.0c01217},
  url = {https://doi.org/10.1021/acs.jcim.0c01217},
  researchr = {https://researchr.org/publication/HuaiSS21},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {61},
  number = {1},
  pages = {284-297},
}