Fractionation of peptide with disulfide bond for quantum mechanical calculation of interaction energy with molecules

Journal of Chemical Physics

Volumn 120, Issue 2, 2004, Pages 839-844

  Chen, X H ^a   Zhang, D W ^a   Zhang, J Z H ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; FRACTIONATION; MOLECULES; QUANTUM THEORY; SULFUR COMPOUNDS; WATER;

CYSTEINES; DISULFIDE; DISULFIDE BONDS; INTERACTION ENERGY; MOLECULAR FRACTIONATION WITH CONJUGATED CAPS METHOD; PEPTIDE;

AMINO ACIDS;

DISULFIDE; PEPTIDE; WATER;

ARTICLE; BINDING SITE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; ENERGY TRANSFER; FRACTIONATION; MECHANICS; PROTEIN BINDING; QUANTUM THEORY;

BINDING SITES; CHEMICAL FRACTIONATION; CHEMISTRY; COMPUTER SIMULATION; DISULFIDES; ENERGY TRANSFER; MECHANICS; MODELS, CHEMICAL; MODELS, MOLECULAR; PEPTIDES; PROTEIN BINDING; QUANTUM THEORY; WATER;

EID: 0842268399     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1630964     Document Type: Article

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