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Simple combined explicit/implicit water model

Published:2016-09-22 Issue:18 Volume:42 Page:1528-1534
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Grigoriev F. V.,Sulimov V. B.

Funder

Russian Science Foundation

Publisher

Informa UK Limited

Subject

Condensed Matter Physics,General Materials Science,General Chemical Engineering,Modeling and Simulation,Information Systems,General Chemistry

Link

http://www.tandfonline.com/doi/pdf/10.1080/08927022.2016.1218488

Reference27 articles.

1. Solvation thermodynamics of nonionic solutes

2. Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

4. Semianalytical treatment of solvation for molecular mechanics and dynamics

5. Surface Generalized Born Method: A Simple, Fast, and Precise Implicit Solvent Model beyond the Coulomb Approximation

Cited by 3 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. Removal and transformation mechanisms of nitrogen and sulfur in petcoke supercritical water gasification via ReaxFF simulation;Molecular Simulation;2021-12-01

2. Implicit Model for the Hydration Free Energy Calculation in the Task of the Supercomputer Docking;Lobachevskii Journal of Mathematics;2019-11

3. Short-range combined water model;Journal of Molecular Graphics and Modelling;2019-05

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