An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water-Reference-Cited by-同舟云学术

An Integral Equation To Describe the Solvation of Polar Molecules in Liquid Water

Published:1997-09-01 Issue:39 Volume:101 Page:7821-7826
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Beglov Dmitrii¹,Roux Benoît¹

Affiliation:

1. Departments of Physics and Chemistry, Université de Montréal, C.P. 6128, succ. Centre-Ville, Canada H3C 3J7, and Centre de Recherche en Calcul Appliqué (CERCA), 5160 Decarie, Montreal, Canada H3X 2H9

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp971083h

Reference37 articles.

1. Advances in Chemical Physics

2. A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations

3. Monte Carlo Quantum Mechanical-Configuration Interaction and Molecular Mechanics Simulation of Solvent Effects on the n .fwdarw. .pi.* Blue Shift of Acetone

4. Theory of Solutions of Molecules Containing Widely Separated Charges with Special Application to Zwitterions

Cited by 470 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. Prediction of Ca²⁺ Binding Site in Proteins With a Fast and Accurate Method Based on Statistical Mechanics and Analysis of Crystal Structures;Proteins: Structure, Function, and Bioinformatics;2024-09-11

2. Thermodynamic Folding-Unfolding Transition and Potential Energy Landscape of a Mini-Protein Chignolin;Journal of the Physical Society of Japan;2024-08-15

3. Toward Realistic Models of the Electrocatalytic Oxygen Evolution Reaction;Chemical Reviews;2024-07-22

4. Exploring the Potential of Structure-Based Deep Learning Approaches for T cell Receptor Design;2024-04-24

5. 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