Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies-Reference-Cited by-同舟云学术

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Automatic parametrization of non-polar implicit solvent models for the blind prediction of solvation free energies

Published:2016-09-28 Issue:12 Volume:145 Page:124110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Wang Bao¹,Zhao Zhixiong¹²,Wei Guo-Wei¹³⁴

Affiliation:

1. Department of Mathematics, Michigan State University, East Lansing, Michigan 48824, USA

2. School of Medicine, Foshan University, Foshan, Guangdong 528000, China

3. Department of Electrical and Computer Engineering, Michigan State University, East Lansing, Michigan 48824, USA

4. Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, Michigan 48824, USA

Funder

Division of Information and Intelligent Systems (IIS)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4963193

Reference84 articles.

1. Improving implicit solvent simulations: a Poisson-centric view

2. Generalized Born Models of Macromolecular Solvation Effects

3. Density‐functional thermochemistry. III. The role of exact exchange

4. Group contributions to the thermodynamic properties of non-ionic organic solutes in dilute aqueous solution

5. MIBPB: A software package for electrostatic analysis

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