Development of Surface-SFED Models for Polar Solvents-Reference-Cited by-同舟云学术

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Development of Surface-SFED Models for Polar Solvents

Published:2012-02-01 Issue:2 Volume:52 Page:440-448
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lee Sehan¹,Cho Kwang-Hwi²,Acree William E.³,No Kyoung Tai¹⁴

Affiliation:

1. Department of Biotechnology, Yonsei University, Seoul, 120-749, Korea

2. Department of Bioinformatics, Soongsil University, Seoul, 156-743, Korea

3. Department of Chemistry, University of North Texas, 1155 Union Circle Drive #305070, Denton, Texas 76230-5017, United States

4. Bioinformatics and Molecular Design Research Center, Seoul, 120-749, Korea

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/ci2004913

Reference36 articles.

1. Empirical solvation models in the context of conformational energy searches: Application to bovine pancreatic trypsin inhibitor

2. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

3. Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

4. Structural, electronic, and bonding properties of liquid water from first principles

5. Quantum Mechanical Continuum Solvation Models

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1. Development of Abraham Model Correlations for Solute Transfer into the tert-Butyl Acetate Mono-Solvent and Updated Equations for Both Ethyl Acetate and Butyl Acetate;Liquids;2022-09-22

2. Development of Predictive Expressions for Infinite Dilution Activity Coefficients, Molar Solubilities and Partition Coefficients for Solutes Dissolved in 2-Pyrrolidone Based on the Abraham Solvation Parameter Model;Journal of Solution Chemistry;2021-07-16

3. Updated Abraham model correlations to describe enthalpies of solvation of solutes dissolved in heptane, cyclohexane and N,N-dimethylformamide;Physics and Chemistry of Liquids;2020-02-25

4. Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model;Journal of Chemical Information and Modeling;2018-03-21

5. Computational classification models for predicting the interaction of compounds with hepatic organic ion importers;Drug Metabolism and Pharmacokinetics;2015-10

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