Photoabsorption of acridine yellow and proflavin bound to human serum albumin studied by means of quantum mechanics/molecular dynamics

Journal of Physical Chemistry B

Volumn 117, Issue 7, 2013, Pages 2069-2080

  Aidas, Kȩstutis ^a   Olsen, Jógvan Magnus H ^b   Kongsted, Jacob ^b   Ågren, Hans ^c  

^a VILNIUS UNIVERSITY   (Lithuania)

^b UNIVERSITY OF SOUTHERN DENMARK   (Denmark)

^c ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMOPHORES; DENSITY FUNCTIONAL THEORY; DYES; MOLECULAR DYNAMICS; PORPHYRINS; PROBES; PROTEINS;

ABSORPTION ENERGIES; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL SCHEMES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DRUG BINDING SITES; ELECTROSTATIC POTENTIALS; EXPERIMENTAL DATUM; HEME BINDING; HUMAN SERUM ALBUMINS; LINEAR RESPONSE; MOLECULAR PROBES; OPTICAL PROBING; OPTICAL RESPONSE; PHOTOABSORPTIONS; POINT CHARGE; POLARIZABILITIES; PROFLAVIN;

BINDING SITES;

EID: 84874153067     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp311863x     Document Type: Article

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