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Biomolecular simulations of membranes: Physical properties from different force fields
- 1.0306768 - ÚOCHB 2008 RIV US eng J - Journal Article
Siu, S. W. I. - Vácha, Robert - Jungwirth, Pavel - Böckmann, R. A.
Biomolecular simulations of membranes: Physical properties from different force fields.
[Biomolekulové simulace membrán: fyzikální vlastnosti pomocí různých silových polí.]
Journal of Chemical Physics. Roč. 128, č. 12 (2008), 125103/1-125103/12. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA AV ČR IAA400400503; GA MŠMT LC512; GA ČR(CZ) GD203/05/H001
Institutional research plan: CEZ:AV0Z40550506
Keywords : molecular dynamics * force fields * membranes
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.149, year: 2008
We compare the two most applied atomic force fields for phospholipids, the all-atom CHARMM27 and GAFF and the united atom Berger force field.
Srovnali jsme dvě nejčastěji používaná silová pole pro fosfolipidy, atomové modely Charmm27 a GAFF a sjednocený model Berger.
Permanent Link: http://hdl.handle.net/11104/0159706
Number of the records: 1