A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains-Reference-Cited by-同舟云学术

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A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains

Published:2013-03-28 Issue:4 Volume:9 Page:1896-1908
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Liu Yu¹,Zhao Shuangliang²,Wu Jianzhong¹

Affiliation:

1. Departments of Chemical and Environmental Engineering and Mathematics, University of California, Riverside, California 92521, United States

2. State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai, 200238, P. R. China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3010936

Reference64 articles.

1. Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

2. Inclusion of Solvation in Ligand Binding Free Energy Calculations Using the Generalized-Born Model

3. Accurate calculations of the hydration free energies of druglike molecules using the reference interaction site model

4. Affinities of amino acid side chains for solvent water

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