Slipids/AMBER Gromacs by XYZ

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Lipid cholesterol (chol)
Pubchem CID:5997
Forcefield Slipids/AMBER
Code Gromacs
Authors Jämbeck JP, Lyubartsev AP
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Joakim Jämbeck

See for for more details and structure files to download


Jämbeck JP, Lyubartsev AP, Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids., J Phys Chem B 116 (2012), 3164-79, doi: 10.1021/jp212503e, pubmed:22352995 [pubmed] [hubmed]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., An Extension and Further Validation of an All-Atomistic Force Field for Biological Membranes, J. Chem. Theory Comput. 8 (2012), 2938–2948, doi: 10.1021/ct300342n, [no pubmed id]
Primary Experimental

Jämbeck, J. P. M. and Lyubartsev, A. P., Another Piece of the Membrane Puzzle: Extending Slipids Further, J. Chem. Theory Comput. (2012), doi: 10.1021/ct300777p, [no pubmed id]
Primary Experimental


Version 2
Parameters 7a30a7aaa40b5dca0070efad5ad847c95d662b26
PDB structure
Bilayer structure
Version 1
cholesterol.itp 78bb8f8986391b5760c93130c02d634781508fd3
Parameters c2e43f6f7cec2677fe111e486976acd285885c9e
PDB structure
chol.gro d128316d3444c5a25aed8d77484317d5aa6b74f5
chol.pdb c521e1a4e5ee4c444abb7b48ab5011bd334b4331
Bilayer structure
WebCite: WebCiteID: 6C4J08K8H