Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model-Reference-Cited by-同舟云学术

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Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model

Published:2018-03-21 Issue:4 Volume:58 Page:761-772
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Ma Songling¹²,Hwang Sungbo¹,Lee Sehan¹³,Acree William E.⁴,No Kyoung Tai¹²^ORCID

Affiliation:

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

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

3. Gulf Ecology Division, U.S. Environmental Protection Agency, Gulf Breeze, Florida 32561, United States

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

Funder

National Research Foundation of 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/acs.jcim.7b00410

Reference82 articles.

1. Solvent effect theories: Quantum and classical formalisms and their applications in chemistry and biochemistry

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

3. Common theoretical framework for quantum chemical solvent effect theories

4. Modeling Solvent in Biomolecular Systems

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