Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation-Reference-Cited by-同舟云学术

Force Field Benchmark of Organic Liquids. 2. Gibbs Energy of Solvation

Published:2015-06-03 Issue:6 Volume:55 Page:1192-1201
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Zhang Jin¹²,Tuguldur Badamkhatan²³,van der Spoel David²

Affiliation:

1. Department of Chemistry, Zhejiang University, Hangzhou 310027, China

2. Uppsala Center for Computational Chemistry, Science for Life Laboratory, Department of Cell and Molecular Biology, Uppsala University, Husargatan 3, Box 596, SE-75124 Uppsala, Sweden

3. Department of Biology, School of Arts and Sciences, National University of Mongolia, Ulaanbaatar 14200, Mongolia

Funder

European Commission

Vetenskapsr?det

Zhejiang University

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.5b00106

Reference84 articles.

1. Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

2. Development and testing of a general amber force field

3. Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

4. Extremely precise free energy calculations of amino acid side chain analogs: Comparison of common molecular mechanics force fields for proteins

5. Hydration Thermodynamic Properties of Amino Acid Analogues: A Systematic Comparison of Biomolecular Force Fields and Water Models

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