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| | BioMed Central | Full text | Structural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and ... |
 | | Nicotine is a psychoactive drug presenting a diverse array of biological activities, some positive, such as enhancement of cognitive performances, others negative, such as addiction liability. |
 | | Surprisingly, the ester moiety of acetylcholine does not seem to interact with the cys-loop of the receptor, as previously suggested by photoaffinity labeling [12], but is engaged in similar type of interaction as that observed with the acidic group of HEPES in the AChBP crystal structure [6]. |
 | | The flexible ligand / grid receptor docking algorithm implemented in ICM was applied, with ECEPP/3 force field and MMFF partial charges for the ligand, and hydrophobic, electrostatic, hydrogen-bond and surface potential maps for the receptor [18,19,10]. |
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