Physical modeling of aqueous solvation

DOI10.1007/S10955-011-0232-9zbMATH Open1231.82072OpenAlexW2074196503WikidataQ38241831 ScholiaQ38241831MaRDI QIDQ657804FDOQ657804

Authors: Christopher J. Fennell, K. A. Dill 

Publication date: 10 January 2012

Published in: Journal of Statistical Physics (Search for Journal in Brave)

Full work available at URL: http://europepmc.org/articles/pmc4136392

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zbMATH Keywords

additivityexplicit waterimplicit solvationwater structuring

Mathematics Subject Classification ID

Statistical mechanics of polymers (82D60) Statistical mechanics of liquids (82D15)

Cited In (4)

• Aqueous solutions: state of the art in ab initio molecular dynamics
• Title not available (Why is that?)
• Role of water molecules in sodium bis(2-ethylhexyl) phosphate reversed micelles in n-heptane
• Implicit model for the hydration free energy calculation in the task of the supercomputer docking

Uses Software

• Gromacs
• APBS

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