Molecular Dynamics Simulations of a Reversibly Folding ß-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions

M. M. Reif; V. Kräutler; M. A. Kastenholz; X. Daura; P. H. Hünenberger

doi:10.1021/jp807421a

Molecular Dynamics Simulations of a Reversibly Folding ß-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions

M. M. Reif, V. Kräutler, M. A. Kastenholz, X. Daura, P. H. Hünenberger

Research output: Contribution to journal › Article › Research

Original language	English
Pages (from-to)	3112-3128
Journal	Journal of Physical Chemistry B
Volume	113
Issue number	10
DOIs	https://doi.org/10.1021/jp807421a
Publication status	Published - 1 Jan 2009

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10.1021/jp807421a

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title = "Molecular Dynamics Simulations of a Reversibly Folding {\ss}-Heptapeptide in Methanol: Influence of the Treatment of Long-Range Electrostatic Interactions",

author = "Reif, {M. M.} and V. Kr{\"a}utler and Kastenholz, {M. A.} and X. Daura and H{\"u}nenberger, {P. H.}",

year = "2009",

month = jan,

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doi = "10.1021/jp807421a",

language = "English",

volume = "113",

pages = "3112--3128",

number = "10",

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AU - Reif, M. M.

AU - Kräutler, V.

AU - Kastenholz, M. A.

AU - Daura, X.

AU - Hünenberger, P. H.

PY - 2009/1/1

Y1 - 2009/1/1

U2 - 10.1021/jp807421a

DO - 10.1021/jp807421a

M3 - Article

SN - 1520-6106

VL - 113

SP - 3112

EP - 3128

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 10

ER -