Computational study of the binding modes of caffeine to the adenosine A2A receptor

Journal of Physical Chemistry B

Volumn 115, Issue 47, 2011, Pages 13880-13890

  Liu, Yuli ^a   Burger, Steven K ^a   Ayers, Paul W ^a   Vöhringer Martinez, Esteban ^b  

^a MCMASTER UNIVERSITY   (Canada)

^b PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CAFFEINE; CRYSTAL STRUCTURE; FREE ENERGY; MOLECULES;

BINDING FREE ENERGY; COMPUTATIONAL STUDIES; CONFIGURATIONAL ENTROPY; ENERGY DECOMPOSITION; EXPERIMENTAL VALUES; LIPID MEMBRANES; SMALL MOLECULES; SOLVED CRYSTAL STRUCTURES;

BINDING ENERGY;

EID: 81855169790     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2022049     Document Type: Article

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