Literature DB >> 26621228

Perspective on Foundations of Solvation Modeling: The Electrostatic Contribution to the Free Energy of Solvation.

Aleksandr V Marenich1, Christopher J Cramer1, Donald G Truhlar1.   

Abstract

Year:  2008        PMID： 26621228     DOI： 10.1021/ct800029c

Source DB:  PubMed          Journal:  J Chem Theory Comput        ISSN： 1549-9618            Impact factor:   6.006


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  12 in total

1.  Differential geometry based solvation model II: Lagrangian formulation.

Authors:  Zhan Chen; Nathan A Baker; G W Wei
Journal:  J Math Biol       Date:  2011-01-30       Impact factor: 2.259

2.  Differential geometry based solvation model. III. Quantum formulation.

Authors:  Zhan Chen; Guo-Wei Wei
Journal:  J Chem Phys       Date:  2011-11-21       Impact factor: 3.488

Review 3.  Biomolecular electrostatics and solvation: a computational perspective.

Authors:  Pengyu Ren; Jaehun Chun; Dennis G Thomas; Michael J Schnieders; Marcelo Marucho; Jiajing Zhang; Nathan A Baker
Journal:  Q Rev Biophys       Date:  2012-11       Impact factor: 5.318

4.  Variational approach for nonpolar solvation analysis.

Authors:  Zhan Chen; Shan Zhao; Jaehun Chun; Dennis G Thomas; Nathan A Baker; Peter W Bates; G W Wei
Journal:  J Chem Phys       Date:  2012-08-28       Impact factor: 3.488

5.  Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies.

Authors:  Hwangseo Park
Journal:  J Comput Aided Mol Des       Date:  2014-02-20       Impact factor: 3.686

6.  Differential geometry based solvation model I: Eulerian formulation.

Authors:  Zhan Chen; Nathan A Baker; G W Wei
Journal:  J Comput Phys       Date:  2010-11-01       Impact factor: 3.553

7.  Charge hydration asymmetry: the basic principle and how to use it to test and improve water models.

Authors:  Abhishek Mukhopadhyay; Andrew T Fenley; Igor S Tolokh; Alexey V Onufriev
Journal:  J Phys Chem B       Date:  2012-08-07       Impact factor: 2.991

8.  Multiscale geometric modeling of macromolecules I: Cartesian representation.

Authors:  Kelin Xia; Xin Feng; Zhan Chen; Yiying Tong; Guo Wei Wei
Journal:  J Comput Phys       Date:  2014-01       Impact factor: 3.553

9.  New solvation free energy function comprising intermolecular solvation and intramolecular self-solvation terms.

Authors:  Hwanho Choi; Hongsuk Kang; Hwangseo Park
Journal:  J Cheminform       Date:  2013-02-04       Impact factor: 5.514

10.  Accuracy enhancement in the estimation of molecular hydration free energies by implementing the intramolecular hydrogen bond effects.

Authors:  Kee-Choo Chung; Hwangseo Park
Journal:  J Cheminform       Date:  2015-11-25       Impact factor: 5.514
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