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Hybrid Qm/Mm Simulation Of The Hydration Phenomena Of Dipalmitoylphosphatidylcholine Headgroup 期刊论文
Journal of Colloid and Interface Science, 2009, 卷号: 329, 期号: 2, 页码: 410-415
Authors:  Yin J(尹俊);  Zhao YP(赵亚溥);  Zhao YP
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Hydration  Hybrid Qm/mm Simulation  Oniom  Dppc  Polar Headgroup  Hydrogen Bond  Molecular-dynamics Simulations  Phospholipid Head Groups  Ab-initio  Polar Head  Conformational Properties  Complexes  Temperature  Phosphate  Bilayers  Density