Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series

Stefan Güssregen, Hans Matter, Gerhard Hessler, Evanthia Lionta, Jochen Heil, Stefan M. Kast. Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series. Journal of Chemical Information and Computer Sciences, 57(7):1652-1666, July 2017. [doi]

@article{GussregenMHLHK17,
  title = {Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series},
  author = {Stefan Güssregen and Hans Matter and Gerhard Hessler and Evanthia Lionta and Jochen Heil and Stefan M. Kast},
  year = {2017},
  month = {July},
  doi = {10.1021/acs.jcim.6b00765},
  url = {https://doi.org/10.1021/acs.jcim.6b00765},
  researchr = {https://researchr.org/publication/GussregenMHLHK17},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {57},
  number = {7},
  pages = {1652-1666},
}