Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation-Reference-Cited by-同舟云学术

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Hydration free energies and solvation structures with molecular density functional theory in the hypernetted chain approximation

Published:2020-02-14 Issue:6 Volume:152 Page:064110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Luukkonen Sohvi¹^ORCID,Levesque Maximilien²^ORCID,Belloni Luc³^ORCID,Borgis Daniel¹²^ORCID

Affiliation:

1. Maison de la Simulation, USR 3441 CNRS-CEA-Université Paris-Saclay, 91191 Gif-sur-Yvette, France

2. PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France

3. LIONS, NIMBE, CEA, CNRS, Université Paris-Saclay, 91191 Gif-sur-Yvette, France

Funder

Agence Nationale de la Recherche

Regione Autonoma della Sardegna

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5142651

Reference96 articles.

1. Implicit solvent models

2. Continuum Solvent Studies of the Stability of DNA, RNA, and Phosphoramidate−DNA Helices

3. Generalized Born Models of Macromolecular Solvation Effects

4. Generalized Born Model with a Simple, Robust Molecular Volume Correction

5. Coupling Hydrophobicity, Dispersion, and Electrostatics in Continuum Solvent Models

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2. Predicting Solvation Free Energies from the Minnesota Solvation Database Using Classical Density Functional Theory Based on the PC-SAFT Equation of State;The Journal of Physical Chemistry B;2024-04-05

3. Free Energy Density of a Fluid and Its Role in Solvation and Binding;Journal of Chemical Theory and Computation;2024-03-27

4. Molecular Insights into the Influence of Major Marine Ions on Carbon Dioxide Hydrate Growth;Crystal Growth & Design;2024-01-24

5. Noether-Constrained Correlations in Equilibrium Liquids;Physical Review Letters;2023-06-30

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