1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate)
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| Lipid | 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate) (PI(4,5)P2) Pubchem CID:16760612 |
|---|---|
| Forcefield | GROMOS-CKP |
| Code | Gromacs |
| Authors | Holdbrook DA, Leung YM, Piggot TJ, Marius P, Williamson PT, Khalid S. |
| Licence |   |
| Curator | Tom Piggot |
| Abstract | PI(4,5)P2 GROMOS-CKP lipid parameters (with dipalmitoyl tails). These lipid parameters can be used with the GROMOS 53A6 and GROMOS 54A7 protein force fields without any modifications to the parameters. If you use these parameters please read and cite: For the headgroup: Stability and Membrane Orientation of the Fukutin Transmembrane Domain: A Combined Multiscale Molecular Dynamics and Circular Dichroism Study. Daniel A. Holdbrook, Yuk Ming Leung, Thomas J. Piggot, Phedra Marius, Phillip T. F. Williamson and Syma Khalid. Biochemistry, 2010, 49 (51), pp 10796–10802 and for the rest of the lipid parameters: Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study. Thomas J. Piggot, Ángel Piñeiro and Syma Khalid. Journal of Chemical Theory and Computation. DOI: 10.1021/ct3003157 NOTE: The bilayer structure provided has one PIP2 lipid in a DPPC membrane. The DPPC parameters used were the consistent GROMOS 53A6 Kukol DPPC parameters, which are also available to download from this website |
References
Holdbrook DA, Leung YM, Piggot TJ, Marius P, Williamson PT, Khalid S., Stability and Membrane Orientation of the Fukutin Transmembrane Domain: A Combined Multiscale Molecular Dynamics and Circular Dichroism Study, Biochemistry
49(51)
(2010),
10796–10802, doi: 10.1021/bi101743w, pubmed:21105749 [pubmed] [hubmed]
Primary Experimental
Piggot, TJ; Piñeiro, Á and Khalid, S, Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study, Journal of Chemical theory and Computation
doi: 10.1021/ct3003157, [no pubmed id]
Primary Experimental
Versions
| Version | 1 | ||
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