Towards optimal boundary integral formulations of the <scp>Poisson–Boltzmann</scp> equation for molecular electrostatics-Reference-Cited by-同舟云学术

Towards optimal boundary integral formulations of the Poisson–Boltzmann equation for molecular electrostatics

Published:2022-02-24 Issue:10 Volume:43 Page:674-691
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Search Stefan D.¹,Cooper Christopher D.¹²^ORCID,Wout Elwin³

Affiliation:

1. Department of Mechanical Engineering Universidad Técnica Federico Santa María Valparaíso Chile

2. Centro Científico Tecnológico de Valparaíso Universidad Técnica Federico Santa María Valparaíso Chile

3. Institute for Mathematical and Computational Engineering, School of Engineering and Faculty of Mathematics Pontificia Universidad Católica de Chile Santiago Chile

Funder

Comisión Nacional de Investigación Científica y Tecnológica

Universidad Técnica Federico Santa María

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26825

Reference69 articles.

1. Implicit solvent models

2. Implicit solvent methods for free energy estimation

3. The interpretation of protein structures: Estimation of static accessibility

4. Analytical molecular surface calculation

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