cholesterol

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Lipid	cholesterol (chol) Pubchem CID:5997
Forcefield	GROMOS87
Code	Gromacs
Authors	Höltje M, Förster T, Brandt B, Engels T, von Rybinski W, Höltje HD
Licence
Curator	Jan Domanski
Abstract	Cholesterol atomistic parameters developed by Monika Hoeltje and Birte Brandt (September 1998), using a force-field parameters developed by Peter Tieleman. The lipid.itp comes from P. Tieleman's lab webpage. The ffgmx*.* are the gromos parameters (come with Gromacs package). Both of these files are the versions available in 2007.

References

Höltje M, Förster T, Brandt B, Engels T, von Rybinski W, Höltje HD, Molecular dynamics simulations of stratum corneum lipid models: fatty acids and cholesterol., Biochim Biophys Acta 1511 (2001), 156-167, doi: 10.1016/S0005-2736(01)00270-X, pubmed:11248214 [pubmed] [hubmed]
Primary Experimental

H.-S. Shieh, L. G. Hoard and C. E. Nordman, The structure of cholesterol, Acta Cryst. B37 (1981), 1538-1543, doi: 10.1107/S0567740881006523, [no pubmed id]
Primary Experimental

B. M. Craven, Pseudosymmetry in cholesterol monohydrate, Acta Cryst. B35 (1979), 1123-1128, doi: 10.1107/S0567740879005719, [no pubmed id]
Primary Experimental

Berger O, Edholm O, Jähnig F, Molecular dynamics simulations of a fluid bilayer of dipalmitoylphosphatidylcholine at full hydration, constant pressure, and constant temperature., Biophys J 72 (1997), 2002-13, doi: 10.1016/S0006-3495(97)78845-3, pubmed:9129804 [pubmed] [hubmed]
Primary Experimental

Niemelä PS, Ollila S, Hyvönen MT, Karttunen M, Vattulainen I, Assessing the nature of lipid raft membranes., PLoS Comput Biol 3 (2007), e34, doi: 10.1371/journal.pcbi.0030034, pubmed:17319738 [pubmed] [hubmed]
Primary Experimental

Tieleman DP, Berendsen HJ, A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer., Biophys J 74 (1998), 2786-801, doi: 10.1016/S0006-3495(98)77986-X, pubmed:9635733 [pubmed] [hubmed]
Primary Experimental

Versions

Version	2
Topology	WebCite:http://moose.bio.ucalgary.ca/files/lipid.itp WebCiteID: 64YIvI11v cholesterol.itp 93d9132b667fc45942831615e44314415d522fbd ffgmx.itp 02283f8f12fc90fe08260461db72fdb8244d6c7e ffgmxbon.itp 9679f35c389a6f4da9e2f0b6ff02a72ece6e97b9 ffgmxnb.itp 4fdcf8c4a7630bcd9abbd4629168ce12bead5d13
Parameters
PDB structure	cholesterol-single.gro 6177b54fea7c4307456471b6bf80aaf01fb8dba1
Bilayer structure
View discussion New comments 0 (3 overall) Download (.zip)

Version	1
Topology	cholesterol.itp 93d9132b667fc45942831615e44314415d522fbd ffgmx.itp 02283f8f12fc90fe08260461db72fdb8244d6c7e ffgmxbon.itp 9679f35c389a6f4da9e2f0b6ff02a72ece6e97b9 ffgmxnb.itp 4fdcf8c4a7630bcd9abbd4629168ce12bead5d13 lipid.itp 43c6b5d9bdb0c35fef4e35bf6f08b1937559d866
Parameters
PDB structure	cholesterol-single.gro 6177b54fea7c4307456471b6bf80aaf01fb8dba1
Bilayer structure
View discussion Download (.zip)