Theoretical conformational analysis for neurotransmitters in the gas phase and in aqueous solution. Norepinephrine

Journal of the American Chemical Society

Volumn 125, Issue 9, 2003, Pages 2770-2785

  Nagy, Peter I ^a   Alagona, Giuliano ^b   Ghio, Caterina ^b   Takács Novák, Krisztina ^c  

^a UNIVERSITY OF TOLEDO   (United States)

^b CNR   (Italy)

^c SEMMELWEIS UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; OPTIMIZATION; PERTURBATION TECHNIQUES; POSITIVE IONS; TISSUE; TRANSMITTERS;

NEUROTRANSMITTERS;

NEUROLOGY;

AMMONIA; BETA ADRENERGIC RECEPTOR; HYDROXYL GROUP; NEUROTRANSMITTER; NORADRENALIN; PHENYL GROUP;

AB INITIO CALCULATION; AQUEOUS SOLUTION; ARTICLE; CONFORMATION; ENERGY; GAS; GEOMETRY; HYDRATION; HYDROGEN BOND; MODEL; MOLECULAR MECHANICS; MOLECULAR STABILITY; MONTE CARLO METHOD; RECEPTOR BINDING; ROTATION; SOLVATION; SPECTROSCOPY; THEORY;

EID: 84961983851     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja028952n     Document Type: Article

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