Implicit solvent simulation models for biomembranes

Grace Brannigan; Lawrence C.L. Lin; Frank L.H. Brown

doi:10.1007/s00249-005-0013-y

Implicit solvent simulation models for biomembranes

Grace Brannigan, Lawrence C.L. Lin, Frank L.H. Brown

Research output: Contribution to journal › Review article › peer-review

126 Scopus citations

Abstract

Fully atomic simulation strategies are infeasible for the study of many processes of interest to membrane biology, biophysics and biochemistry. We review various coarse-grained simulation methodologies with special emphasis on methods and models that do not require the explicit simulation of water. Examples from our own research demonstrate that such models have potential for simulating a variety of biologically relevant phenomena at the membrane surface.

Original language	English (US)
Pages (from-to)	104-124
Number of pages	21
Journal	European Biophysics Journal
Volume	35
Issue number	2
DOIs	https://doi.org/10.1007/s00249-005-0013-y
State	Published - Jan 2006
Externally published	Yes

All Science Journal Classification (ASJC) codes

Biophysics

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10.1007/s00249-005-0013-y

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title = "Implicit solvent simulation models for biomembranes",

abstract = "Fully atomic simulation strategies are infeasible for the study of many processes of interest to membrane biology, biophysics and biochemistry. We review various coarse-grained simulation methodologies with special emphasis on methods and models that do not require the explicit simulation of water. Examples from our own research demonstrate that such models have potential for simulating a variety of biologically relevant phenomena at the membrane surface.",

author = "Grace Brannigan and Lin, {Lawrence C.L.} and Brown, {Frank L.H.}",

note = "Funding Information: Acknowledgments This work was supported in part by the NSF (MCB-0203221, CHE-0349196, CHE-0321368) and the donors of the American Chemical Society Petroleum Research Fund (PRF 42447-G7). F. B. is an Alfred P. Sloan Research Fellow. F. B. thanks the NSF for travel funds to participate in the {\textquoteleft}{\textquoteleft}Biophysical Chemistry Meets Molecular Medicine{\textquoteright}{\textquoteright} workshop.",

year = "2006",

month = jan,

doi = "10.1007/s00249-005-0013-y",

language = "English (US)",

volume = "35",

pages = "104--124",

journal = "European Biophysics Journal",

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TY - JOUR

T1 - Implicit solvent simulation models for biomembranes

AU - Brannigan, Grace

AU - Lin, Lawrence C.L.

AU - Brown, Frank L.H.

N1 - Funding Information: Acknowledgments This work was supported in part by the NSF (MCB-0203221, CHE-0349196, CHE-0321368) and the donors of the American Chemical Society Petroleum Research Fund (PRF 42447-G7). F. B. is an Alfred P. Sloan Research Fellow. F. B. thanks the NSF for travel funds to participate in the ‘‘Biophysical Chemistry Meets Molecular Medicine’’ workshop.

PY - 2006/1

Y1 - 2006/1

N2 - Fully atomic simulation strategies are infeasible for the study of many processes of interest to membrane biology, biophysics and biochemistry. We review various coarse-grained simulation methodologies with special emphasis on methods and models that do not require the explicit simulation of water. Examples from our own research demonstrate that such models have potential for simulating a variety of biologically relevant phenomena at the membrane surface.

AB - Fully atomic simulation strategies are infeasible for the study of many processes of interest to membrane biology, biophysics and biochemistry. We review various coarse-grained simulation methodologies with special emphasis on methods and models that do not require the explicit simulation of water. Examples from our own research demonstrate that such models have potential for simulating a variety of biologically relevant phenomena at the membrane surface.

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U2 - 10.1007/s00249-005-0013-y

DO - 10.1007/s00249-005-0013-y

M3 - Review article

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SN - 0175-7571

VL - 35

SP - 104

EP - 124

JO - European Biophysics Journal

JF - European Biophysics Journal

IS - 2

ER -

Implicit solvent simulation models for biomembranes

Abstract

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