Extending the Solvation-Layer Interface Condition Continum Electrostatic Model to a Linearized Poisson–Boltzmann Solvent-Reference-Cited by-同舟云学术

Extending the Solvation-Layer Interface Condition Continum Electrostatic Model to a Linearized Poisson–Boltzmann Solvent

Published:2017-05-02 Issue:6 Volume:13 Page:2897-2914
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Molavi Tabrizi Amirhossein¹,Goossens Spencer¹,Mehdizadeh Rahimi Ali¹,Cooper Christopher D.²^ORCID,Knepley Matthew G.³,Bardhan Jaydeep P.¹^ORCID

Affiliation:

1. Department of Mechanical and Industrial Engineering, Northeastern University, Boston, Massachusetts 02115, United States

2. Departamento de Ingeniería Mecánica and Centro Científico Tecnológico de Valparaíso (CCTVal), Universidad Técnica Federico Santa María, Valparaiso, Chile

3. Department of Computational and Applied Mathematics, Rice University, Houston, Texas 77005, United States

Funder

Comisi?n Nacional de Investigaci?n Cient?fica y Tecnol?gica

Office of Cyberinfrastructure

Office of Science

Division of Chemical, Bioengineering, Environmental, and Transport Systems

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00832

Reference111 articles.

1. Implicit solvent models

2. Electrostatics in biomolecular structure and dynamics

3. Macromolecular electrostatic energy within the nonlinear Poisson–Boltzmann equation

4. Solvation of complex molecules in a polar liquid: An integral equation theory

5. An Assessment of Potential of Mean Force Calculations with Implicit Solvent Models

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