Viewing lipid chol (cholesterol)

Name cholesterol
Shorthand chol
Pubchem 5997
CAS RN 57-88-5

Associated packages

Martini Gromacs
chol (cholesterol)

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Lipid chol cholesterol
Forcefield Martini
Code Gromacs
Authors Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Creation date 03 Oct 2010

Coarse grained cholesterol, linked from SJ Marrink's parameter website. (ITP file contains CHOLESTEROL, CHOLESTERYL OLEATE, CHOLATE). See the website for mixed bilayers and example input files.

 

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GROMOS87 Gromacs
chol (cholesterol)

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Lipid chol cholesterol
Forcefield GROMOS87
Code Gromacs
Authors Höltje M, Förster T, Brandt B, Engels T, von Rybinski W, Höltje HD
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Creation date 02 Mar 2011

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 [...] [read more]

GROMOS43A1-S3 Gromacs
chol (cholesterol)

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Lipid chol cholesterol
Forcefield GROMOS43A1-S3
Code Gromacs
Authors Chiu SW, Pandit SA, Scott HL, Jakobsson E
Licence fair use
Creation date 01 Jun 2012

A new GROMOS43a1-based force field (43A1-S3) for simulation of membranes with the  Gromacs simulation package. The validity of the force fields is demonstrated by correct replication of X-ray form factors and NMR order parameters over a wide range of membrane compositions in semi-isotropic NTP [...] [read more]

Slipids/AMBER Gromacs
chol (cholesterol)

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Lipid chol cholesterol
Forcefield Slipids/AMBER
Code Gromacs
Authors Jämbeck JP, Lyubartsev AP
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Creation date 10 Nov 2012

See http://people.su.se/~jjm/Stockholm_Lipids/Home.html for for more details and structure files to download

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Martini Gromacs
chol (cholesterol)

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Lipid chol cholesterol
Forcefield Martini
Code Gromacs
Authors Daily MD, Olsen BN, Schlesinger PH, Ory DS, Baker NA
Licence fair use
Creation date 29 Oct 2014

Cholesterol trafficking, which is an essential function in mammalian cells, is intimately connected to molecular-scale interactions through cholesterol modulation of membrane structure and dynamics and interaction with membrane receptors. Since these effects of cholesterol occur on micro- to millisecond time scales, it is essential to develop [...] [read more]