IMECH-IR  > 力学所知识产出(1956-2008)
QM/MM and classical MD simulation of His-tagged peptide immobilization on Ni surface
Yang ZY(杨振宇); Zhao YP(赵亚溥)
Source Publication2005年纳米和表面科学与技术全国会议论文摘要集
Conference Name2005年纳米和表面科学与技术全国会议
Conference Date2005-09-01
Conference Place中国北京
AbstractThe hybrid quantum mechanics(QM)and molecular mechanics(MM)method isemployed to simulate the His-tagged peptide adsorption to ionized region of Ni surface.For simplicity,the peptide interaction with one Ni ion is considered.In the QM/MMcalculation,main atoms around Ni ion are treated as QM part ...
KeywordTagged Simplicity Immobilization Orbital Neutral Rings Imidazole Bases Environments Attached
Document Type会议论文
Recommended Citation
GB/T 7714
Yang ZY,Zhao YP. QM/MM and classical MD simulation of His-tagged peptide immobilization on Ni surface[C]2005年纳米和表面科学与技术全国会议论文摘要集,2005.
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