Slipids/AMBER Gromacs by XYZ

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Lipid D-erythro-n-palmitoyl-sphingomyelin (SM)
Pubchem CID:9939941
Forcefield Slipids/AMBER
Code Gromacs
Authors Jämbeck JP, Lyubartsev AP
Licence CreativeCommons Attribution-ShareAlike licence 3.0 Open Knowledge
Curator Joakim Jämbeck

See http://people.su.se/~jjm/Stockholm_Lipids/Home.html 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. doi: 10.1021/ct300777p, [no pubmed id]
Primary Experimental


Version 2
forcefield.ff.zip 7a30a7aaa40b5dca0070efad5ad847c95d662b26
PDB structure
Bilayer structure
Version 1
SM16.itp d6a22fd84db2ecc969c0607fccc0f5d864ff5f55
forcefield.ff.zip 9fe6b1ec3868cb6dd7fd9ceabd4999bae1c05845
PDB structure
Bilayer structure
16SM.gro e79499a897ec6824810621467b183894cb75ec8b
WebCite:http://people.su.se/~jjm/Stockholm_Lipids/Downloads.html WebCiteID: 6C4LzG9N1
16SM_0.2chl.gro a66fef4b283caecc12b36d34ced3a732a2a33f6d