Molecular mechanics force field parameterization of the fluorescent probe rhodamine 6G using automated frequency matching

Journal of Computational Chemistry

Volumn 24, Issue 5, 2003, Pages 632-639

  Vaiana, Andrea C ^a   Schulz, Andreas ^a   Wolfrum, Jürgen ^a   Sauer, Markus ^a   Smith, Jeremy C ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

Author keywords

Computer simulation; Fluorescent dyes; Force field parameters; Molecular modeling; Normal modes

Indexed keywords

COMPUTER SIMULATION; DYES; FLUORESCENCE; FREQUENCIES; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM THEORY;

MOLECULAR MODELING;

AMINES;

FLUORESCENT DYE; RHODAMINE; RHODAMINE 6G;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; COMPUTER SIMULATION; CONFORMATION; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; FLUORESCENT DYES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; RHODAMINES;

EID: 0141789943     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10190     Document Type: Article

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