QM/MM and classical molecular dynamics simulation of histidine-tagged peptide immobilization on nickel surface

Materials Science and Engineering: A

Volumn 423, Issue 1-2, 2006, Pages 84-91

  Yang, Zhenyu ^a   Zhao, Ya Pu ^a  

^a INSTITUTE OF MECHANICS   (China)

Author keywords

Adhesion; CHARMM; Chelate; Histidine; Hybrid QM MM simulation; IMOMM

Indexed keywords

ADHESION; ADSORPTION; CHELATION; COMPUTATIONAL GEOMETRY; COMPUTER SIMULATION; MOLECULAR DYNAMICS; NICKEL; QUANTUM THEORY; SUBSTRATES; SURFACE PROPERTIES;

HISTIDINE-TAGGED PEPTIDE IMMOBILIZATION; IMIDAZOLES; INTEGRATED MOLECULAR ORBITAL/MOLECULAR MECHANICS; MOLECULAR DYNAMICS SIMULATION; MOLECULAR MECHANICS;

AMINO ACIDS;

ADHESION; ADSORPTION; AMINO ACIDS; CHELATION; COMPUTATIONAL GEOMETRY; COMPUTER SIMULATION; MOLECULAR DYNAMICS; NICKEL; QUANTUM THEORY; SUBSTRATES; SURFACE PROPERTIES;

EID: 33646144673     PISSN: 09215093     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.msea.2005.10.078     Document Type: Article

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