Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: Combined QM and MM simulations

Journal of Physical Chemistry B

Volumn 114, Issue 24, 2010, Pages 8270-8277

  Jiang, Jun ^a   Abramavicius, Darius ^a   Bulheller, Benjamin M ^a   Hirst, Jonathan D ^b   Mukamel, Shaul ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DICHROISM; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ELECTROSTATICS; MECHANICS; MOLECULAR DYNAMICS; PROTEINS; QUANTUM THEORY; ULTRAVIOLET SPECTROSCOPY;

BACKBONE GEOMETRY; CIRCULAR DICHROISM SPECTRA; ELECTRONIC STRUCTURE CALCULATIONS; ELECTROSTATIC ENVIRONMENTS; ELECTROSTATIC FLUCTUATION; FINE STRUCTURES; LINE SHAPE; LINEAR ABSORPTION; MOLECULAR DYNAMICS TRAJECTORIES; PROTEIN BACKBONE; PROTEIN STRUCTURES; SECONDARY STRUCTURES; SENSITIVE PROBE; SPLITTINGS; ULTRA-VIOLET; UV SPECTRUM;

SOLUTIONS;

ACETAMIDE DERIVATIVE; HEMOGLOBIN; N METHYLACETAMIDE; N-METHYLACETAMIDE; PROTEIN;

ARTICLE; CHEMISTRY; CIRCULAR DICHROISM; MOLECULAR DYNAMICS; PROTEIN SECONDARY STRUCTURE; QUANTUM THEORY; STATIC ELECTRICITY; ULTRAVIOLET SPECTROPHOTOMETRY;

ACETAMIDES; CIRCULAR DICHROISM; HEMOGLOBINS; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, SECONDARY; PROTEINS; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET; STATIC ELECTRICITY;

EID: 77956622554     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp101980a     Document Type: Article

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