Computational study of the molecular mechanisms of caffeine action: Caffeine complexes with adenosine receptors

International Journal of Quantum Chemistry

Volumn 110, Issue 3, 2010, Pages 681-688

  Poltev, V I ^a,b   Rodriguez E ^a   Grokhlina, T I ^c   Deriabina, A ^a   Gonzalez, E ^a  

^a BENEMÉRITA UNIVERSIDAD AUTÓNOMA DE PUEBLA   (Mexico)

^b INSTITUTE OF THEORETICAL AND EXPERIMENTAL BIOPHYSICS   (Russian Federation)

^c INSTITUTE OF MATHEMATICAL PROBLEMS OF BIOLOGY   (Russian Federation)

Author keywords

Adenosine receptors; Caffeine; Complex formation; Computer simulation; Molecular mechanics

Indexed keywords

ADENOSINE RECEPTOR; AMINO ACID RESIDUES; BIOLOGICAL ACTIONS; CAFFEINE; COMPLEX FORMATION; COMPLEX FORMATIONS; COMPUTATIONAL STUDIES; COMPUTER PROGRAM; FORCE FIELDS; MINIMUM ENERGY CONFIGURATION; MOLECULAR BASIS; MOLECULAR MECHANICS CALCULATIONS; MOLECULAR MECHANISM; SITE DIRECTED MUTAGENESIS; TRANS-MEMBRANE DOMAINS;

ACTIVATION ANALYSIS; AMINO ACIDS; COMPLEXATION; COMPUTATIONAL METHODS; HYDROGEN BONDS; MOLECULAR MECHANICS; ORGANIC ACIDS; ROOM AND PILLAR MINING;

COMPUTER SIMULATION;

EID: 73549092153     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22106     Document Type: Article

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