We refined the united atom field for the simulations of phospholipid membranes. To validate this potential we performed 1000-ps Ž . constant pressure simulation of a dipalmitoylphosphatidicholine DPPC bilayer ˚2 Ž . at T s 50Њ C. The average area per head group 61.6 " 0.6 A obtained in our ˚2 Ž . si
United-atom force field for [emim][lactate] and molecular simulation of mixture of [emim][lactate] and water
✍ Scribed by Yongqi Hu; Haichao Jiang; Xiaochun Zhang; Zhiping Liu; Jie Ren; Runjing Liu
- Book ID
- 108286005
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 1015 KB
- Volume
- 915
- Category
- Article
- ISSN
- 0166-1280
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