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Accurate Boundary Integral Formulations for the Calculation of Electrostatic Forces with an Implicit-Solvent Model

  • Published:2023-04-27 Issue:10 Volume:19 Page:2996-3006
  • ISSN:1549-9618
  • Container-title:Journal of Chemical Theory and Computation
  • language:en
  • Short-container-title:J. Chem. Theory Comput.

Author:

Addison-Smith Ian1,Guzman Horacio V.23ORCID,Cooper Christopher D.14ORCID

Affiliation:

1. Department of Mechanical Engineering, Universidad Técnica Federico Santa María, 2390123 Valparaíso, Chile

2. Department of Theoretical Physics, Jožef Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia

3. Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain

4. Centro Científico Tecnológico de Valparaíso, Universidad Técnica Federico Santa María, 2390123 Valparaíso, Chile

Funder

Universidad T?cnica Federico Santa Mar?a

Javna Agencija za Raziskovalno Dejavnost RS

Comunidad de Madrid

European Regional Development Fund

Agencia Nacional de Investigaci?n y Desarrollo

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. ddX: Polarizable continuum solvation from small molecules to proteins;WIREs Computational Molecular Science;2024-07
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