Martini Gromacs by XYZ

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Lipid cholesterol (chol)
Pubchem CID:5997
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
Curator Oliver Beckstein

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.



Marrink SJ, Risselada HJ, Yefimov S, Tieleman DP, de Vries AH, The MARTINI force field: coarse grained model for biomolecular simulations., J Phys Chem B 111 (2007), 7812-7824, doi: 10.1021/jp071097f, pubmed:17569554 [pubmed] [hubmed]
Primary Experimental

Marrink SJ, de Vries AH, Harroun TA, Katsaras J, Wassall SR, Cholesterol shows preference for the interior of polyunsaturated lipid membranes., J Am Chem Soc 130 (2008), 10-11, doi: 10.1021/ja076641c, pubmed:18076174 [pubmed] [hubmed]
Primary Experimental


Version 1
WebCite: WebCiteID: 5tCkXRq56
WebCite: WebCiteID: 5tCkaEo3T
PDB structure
chol_martiniv20.pdb 51a15121f579fef86b6cda03e671fbafeb1fe2f1
Bilayer structure