Force field evaluation for biomolecular simulation: Free enthalpies of solvation of polar and apolar compounds in various solvents

DP Geerke; WF van Gunsteren

doi:10.1002/cphc.200500510

Force field evaluation for biomolecular simulation: Free enthalpies of solvation of polar and apolar compounds in various solvents

DP Geerke, WF van Gunsteren

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	671-678
Journal	ChemPhysChem
Volume	7
Issue number	3
DOIs	https://doi.org/10.1002/cphc.200500510
Publication status	Published - 13 Mar 2006

Keywords

biomolecules
force field validation
free-energy calculations
molecular dynamics
solvent effects

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10.1002/cphc.200500510

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title = "Force field evaluation for biomolecular simulation: Free enthalpies of solvation of polar and apolar compounds in various solvents",

keywords = "biomolecules, force field validation, free-energy calculations, molecular dynamics, solvent effects",

author = "DP Geerke and {van Gunsteren}, WF",

year = "2006",

month = mar,

day = "13",

doi = "10.1002/cphc.200500510",

language = "English",

volume = "7",

pages = "671--678",

journal = "ChemPhysChem",

issn = "1439-4235",

publisher = "Wiley-VCH Verlag",

number = "3",

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AU - Geerke, DP

AU - van Gunsteren, WF

PY - 2006/3/13

Y1 - 2006/3/13

KW - biomolecules

KW - force field validation

KW - free-energy calculations

KW - molecular dynamics

KW - solvent effects

U2 - 10.1002/cphc.200500510

DO - 10.1002/cphc.200500510

M3 - Article

SN - 1439-4235

VL - 7

SP - 671

EP - 678

JO - ChemPhysChem

JF - ChemPhysChem

IS - 3

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