Conformational and electronic properties of a microperoxidase in aqueous solution: A computational study

ChemPhysChem

Volumn 6, Issue 4, 2005, Pages 681-689

  Di Teodoro, Carla ^a   Aschi, Massimiliano ^a   Amadei, Andrea ^b   Roccatano, Danilo ^c   Malatesta, Francesco ^a   Ottaviano, Luca ^a  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b UNIVERSITY OF ROME TOR VERGATA   (Italy)

^c JACOBS UNIVERSITY BREMEN   (Germany)

Author keywords

Electron transfer; Electronic excitation; Molecular dynamics; Photochemistry; Solvent effects

Indexed keywords

DEGREES OF FREEDOM (MECHANICS); ENZYME ACTIVITY; MOLECULAR DYNAMICS; PHOTOCHEMICAL REACTIONS; REDOX REACTIONS; SOLVENTS; STATISTICAL MECHANICS;

COMPLEX MOLECULAR SYSTEMS; CONFORMATIONAL PROPERTIES; CONFORMATIONAL TRANSITIONS; ELECTRON TRANSFER; ELECTRONIC EXCITATION; MOLECULAR DYNAMICS SIMULATIONS; PERTURBED MATRIX METHODS; SOLVENT EFFECTS;

ELECTRONIC PROPERTIES;

EID: 17744371675     PISSN: 14394235     EISSN: None     Source Type: Journal    
DOI: 10.1002/cphc.200400493     Document Type: Article

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