@article{Panday2024,
  author = "S. K. Panday and A. Chakravorty and S. Zhao and E. Alexov",
  title = "On delivering polar solvation free energy of proteins from energy minimized structures using a regularized super‐Gaussian Poisson–Boltzmann model",
  year = 2024,
  journal = "Journal of Computational Chemistry",
  publisher = "Wiley",
  volume = 46,
  number = 1,
  month = "Oct",
  doi = "10.1002/jcc.27496",
  url = "http://dx.doi.org/10.1002/jcc.27496"
}


@article{Zhao2024,
  author = "S. Zhao and I. E. Ijaodoro and M. McGowan and E. Alexov",
  title = "Calculation of electrostatic free energy for the nonlinear Poisson-Boltzmann model based on the dimensionless potential",
  year = 2024,
  journal = "Journal of Computational Physics",
  publisher = "Elsevier BV",
  volume = 497,
  pages = "112634",
  month = "Jan",
  doi = "10.1016/j.jcp.2023.112634",
  url = "http://dx.doi.org/10.1016/j.jcp.2023.112634"
}


@article{Shao2023a,
  author = "Y. Shao and M. McGowan and S. Wang and E. Alexov and S. Zhao",
  title = "Convergence of a diffuse interface Poisson-Boltzmann (pb) model to the sharp interface pb model: a unified regularization formulation",
  year = 2023,
  journal = "Applied Mathematics and Computation",
  volume = 436,
  pages = "127501"
}


@article{Wang2022a,
  author = "S. Wang and Y. Shao and E. Alexov and S. Zhao",
  title = "A regularization approach for solving the super-Gaussian Poisson-Boltzmann model with heterogeneous dielectric functions",
  year = 2022,
  journal = "Journal of Computational Physics",
  pages = "111340"
}


@article{wang2021regularization,
  author = "S. Wang and E. Alexov and S. Zhao",
  title = "On regularization of charge singularities in solving the Poisson-Boltzmann equation with a smooth solute-solvent boundary [J]",
  year = 2021,
  journal = "Mathematical Biosciences and Engineering",
  volume = 18,
  number = 2,
  pages = "1370-1405"
}


@article{li2020newton,
  author = "C. Li and M. McGowan and E. Alexov and S. Zhao",
  title = "A Newton-like iterative method implemented in the DelPhi for solving the nonlinear Poisson-Boltzmann equation [J]",
  year = 2020,
  journal = "Mathematical Biosciences and Engineering",
  volume = 17,
  number = 6,
  pages = "6259-6277"
}


@article{chakravorty2020capturing,
  author = "A. Chakravorty and S. Panday and S. Pahari and S. Zhao and E. Alexov",
  title = "Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi",
  year = 2020,
  journal = "Journal of chemical information and modeling",
  publisher = "American Chemical Society",
  volume = 60,
  number = 4,
  pages = "2229-2246"
}


@article{wang2020regularization,
  author = "S. Wang and A. Lee and E. Alexov and S. Zhao",
  title = "A regularization approach for solving Poisson’s equation with singular charge sources and diffuse interfaces",
  year = 2020,
  journal = "Applied Mathematics Letters",
  publisher = "Pergamon",
  volume = 102,
  pages = "106144"
}


@article{panday2019reproducing,
  author = "S. K. Panday and M. H. Shashikala and A. Chakravorty and S. Zhao and E. Alexov",
  title = "Reproducing ensemble averaged electrostatics with Super-Gaussian-based smooth dielectric function: application to electrostatic component of binding energy of protein complexes",
  year = 2019,
  journal = "Communications in Information and Systems",
  volume = 19,
  number = 4
}


@article{hazra2019super,
  author = "T. Hazra and S. A. Ullah and S. Wang and E. Alexov and S. Zhao",
  title = "A super-Gaussian Poisson--Boltzmann model for electrostatic free energy calculation: smooth dielectric distribution for protein cavities and in both water and vacuum states",
  year = 2019,
  journal = "Journal of mathematical biology",
  publisher = "Springer Berlin Heidelberg",
  volume = 79,
  number = 2,
  pages = "631-672"
}


@article{chakravorty2018reproducing,
  author = "A. Chakravorty and Z. Jia and L. Li and S. Zhao and E. Alexov",
  title = "Reproducing the ensemble average polar solvation energy of a protein from a single structure: gaussian-based smooth dielectric function for macromolecular modeling",
  year = 2018,
  journal = "Journal of chemical theory and computation",
  publisher = "American Chemical Society",
  volume = 14,
  number = 2,
  pages = "1020-1032"
}