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Volumn 114, Issue 20, 2010, Pages 6836-6849

Zwitterionic lipid assemblies: Molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force field

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; DISTRIBUTION FUNCTIONS; ELECTRON ENERGY LEVELS; MOLECULAR DYNAMICS; MOLECULES; MONOLAYERS; NONIONIC SURFACTANTS; POLYETHYLENE GLYCOLS;

EID: 77952710577     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp9107206     Document Type: Article
Times cited : (233)

References (75)
  • 59
    • 84906364358 scopus 로고    scopus 로고
    • note
    • For a comparison, simulations using MARTINI potential were performed for air/water interface using the Gromacs simulation software. Surface tension calculations were performed using the Gromacs g-energy tool. All simulations were carried out at 323 K in an NVT ensemble with temperature controlled by coupling to Berendsen thermostats. For pure water surface tension calculations, the box dimensions were 6.5 nm in x and y with a total of 5128 CG water sites. For the DPPC monolayer simulations, each system consisted of 64 monomers in each monolayer leaflet with roughly 5000 CG waters. Each system was equilibrated for 40 ns followed by 100 ns production runs with a 20 fs timestep.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.