Classical force field parameters for the heme prosthetic group of cytochrome c

Journal of Computational Chemistry

Volumn 25, Issue 13, 2004, Pages 1613-1622

  Autenrieth, Felix ^a   Tajkhorshid, Emad ^a   Baudry, Jerome ^a   Luthey Schulten, Zaida ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

AMBER; Charges; CHARMM; DFT; Fe ligation

Indexed keywords

CHARGES; CHARMM; DENSITY FUNCTIONAL THEORY (DFT); FE LIGATION;

BIOLOGICAL MATERIALS; CHEMICAL BONDS; CYTOLOGY; ELECTRON TRANSITIONS; OPTIMIZATION; PROBABILITY DENSITY FUNCTION; REDOX REACTIONS; VAN DER WAALS FORCES; X RAY ANALYSIS;

HEMOGLOBIN;

CYTOCHROME C; HEME;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRICITY; OXIDATION REDUCTION REACTION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; CYTOCHROMES C; ELECTROSTATICS; HEME; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; OXIDATION-REDUCTION; THERMODYNAMICS;

EID: 4444240014     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.20079     Document Type: Article

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