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- W2248223498 abstract "The 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 ..." @default.
- W2248223498 created "2016-06-24" @default.
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- W2248223498 date "2005-01-01" @default.
- W2248223498 modified "2023-09-24" @default.
- W2248223498 title "QM/MM and classical MD simulation of His-tagged peptide immobilization on Ni surface" @default.
- W2248223498 hasPublicationYear "2005" @default.
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