Analysis of hydrophobic organization of the binding site of beta2-adrenergic receptor
Novoseletsky V.N., Pyrkov T.V., Efremov R.G.
"Математика. Компьютер. Образование". Cб. трудов XVII международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2010 (in press). (accepted)
We studied the complementarity of hydrophobic properties of a ligand and receptor on the ligand molecular surface. There is good correlation between the complementarity of molecular fragments and the binding constants that had been measured for beta-blockers. This does not hold true for beta-adrenoceptor agonists.
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