A subsystem density-functional theory approach for the quantum chemical treatment of proteins

Journal of Chemical Physics

Volumn 128, Issue 15, 2008, Pages

  Jacob, Christoph R ^a,b   Visscher, Lucas ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; COVALENT BONDS; DENSITY FUNCTIONAL THEORY; QUANTUM CHEMISTRY;

DIPEPTIDES; FROZEN DENSITY EMBEDDING (FDE) SCHEME; QUANTUM CHEMICAL TREATMENT; SEPARATE SUBSYSTEMS;

PEPTIDES;

PROTEIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; QUANTUM THEORY; ULTRASTRUCTURE;

COMPUTER SIMULATION; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEINS; QUANTUM THEORY;

EID: 42449113433     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2906128     Document Type: Article

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