An accurate and rapid method for calculating hydration free energies of a variety of solutes including proteins-Reference-Cited by-同舟云学术

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An accurate and rapid method for calculating hydration free energies of a variety of solutes including proteins

Published:2019-05-07 Issue:17 Volume:150 Page:175101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Hikiri Simon¹²,Hayashi Tomohiko¹,Inoue Masao¹,Ekimoto Toru³,Ikeguchi Mitsunori³⁴,Kinoshita Masahiro¹^ORCID

Affiliation:

1. Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011, Japan

2. Graduate School of Science, Chiba University, 1-33 Yayoi-cho, Inage, Chiba 263-8522, Japan

3. Graduate School of Medical Life Science, Yokohama City University, 1-7-29, Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan

4. RIKEN Medical Sciences Innovation Hub Program, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama 230-0045, Japan

Funder

AMED

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5093110

Reference69 articles.

1. Thermodynamics of cavity formation in water. A molecular dynamics study

2. Ligand-receptor interactions

3. Monte Carlo simulation of differences in free energies of hydration

4. Statistical Mechanics of Fluid Mixtures

5. Free energy calculations: Applications to chemical and biochemical phenomena

Cited by 22 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. An accurate and rapid method for calculating hydration free energies of solutes including small organic molecules, peptides, and proteins;Journal of Molecular Liquids;2024-07

2. Physical pictures of rotation mechanisms of F1- and V1-ATPases: Leading roles of translational, configurational entropy of water;Frontiers in Molecular Biosciences;2023-06-09

3. Hydration Properties of a Protein at Normal and High Pressures: Physics of Pressure Denaturation;The Review of High Pressure Science and Technology;2023-06-01

4. Effective electrostatic interaction between columnar colloids: roles of solvent steric hindrance, polarity, and surface geometric characteristics;Molecular Physics;2023-05-25

5. Prediction of hydrophilic and hydrophobic hydration structure of protein by neural network optimized using experimental data;Scientific Reports;2023-02-07

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