Searching the "biologically relevant" conformation of dopamine: A computational approach

Journal of Chemical Information and Modeling

Volumn 52, Issue 1, 2012, Pages 99-112

  Andujar, Sebastian A ^a,b   Tosso, Rodrigo D ^a,b   Suvire, Fernando D ^a   Angelina, Emilio ^c   Peruchena, Nelida ^c   Cabedo, Nuria ^d   Cortes, Diego ^d   Enriz, Ricardo D ^a,b  

^a UNIVERSIDAD NACIONAL DE SAN LUIS   (Argentina)

^b IMIBIO SL ^*  (Argentina)

^c UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

^d UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; AMINES; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; NEUROPHYSIOLOGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

COMPUTATIONAL APPROACH; CONFORMATIONAL STUDY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR FLEXIBILITY; POTENTIAL ENERGY CURVES; POTENTIAL ENERGY HYPER SURFACES; THEORETICAL CALCULATIONS; THEORETICAL MODELING;

POTENTIAL ENERGY;

BACTERIORHODOPSIN; DOPAMINE; DOPAMINE 2 RECEPTOR;

ARTICLE; CHEMICAL PHENOMENA; CHEMISTRY; CONFORMATION; HUMAN; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMICS;

BACTERIORHODOPSINS; DOPAMINE; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; QUANTUM THEORY; RECEPTORS, DOPAMINE D2; THERMODYNAMICS;

EID: 84858050277     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2004225     Document Type: Article

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