Finite-Size Effect on the Charging Free Energy of Protein in Explicit Solvent
Author:
Affiliation:
1. Division of Chemical Engineering, Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan
2. Elements Strategy Initiative for Catalysts and Batteries, Kyoto University, Katsura, Kyoto 615-8520, Japan
Funder
Ministry of Education, Culture, Sports, Science, and Technology
Japan Society for the Promotion of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct5008394
Reference56 articles.
1. Ionic charging free energies: Spherical versus periodic boundary conditions
2. On Finite-Size Corrections to the Free Energy of Ionic Hydration
3. Continuum Corrections to the Polarization and Thermodynamic Properties of Ewald Sum Simulations for Ions and Ion Pairs at Infinite Dilution
4. Ewald artifacts in computer simulations of ionic solvation and ion–ion interaction: A continuum electrostatics study
5. The dielectric self-consistent field method. II. Application to the study of finite range effects
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