Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi

Arghya Chakravorty, Shailesh Kumar Panday, Swagata Pahari, Shan Zhao 0001, Emil Alexov. Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi. Journal of Chemical Information and Computer Sciences, 60(4):2229-2246, 2020. [doi]

@article{ChakravortyPPZA20,
  title = {Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi},
  author = {Arghya Chakravorty and Shailesh Kumar Panday and Swagata Pahari and Shan Zhao 0001 and Emil Alexov},
  year = {2020},
  doi = {10.1021/acs.jcim.0c00151},
  url = {https://doi.org/10.1021/acs.jcim.0c00151},
  researchr = {https://researchr.org/publication/ChakravortyPPZA20},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {60},
  number = {4},
  pages = {2229-2246},
}