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Comparison of Dynamics of Extracellular Accesses to the β(1) and β(2) Adrenoceptors Binding Sites Uncovers the Potential of Kinetic Basis of Antagonist Selectivity

From the molecular mechanism of antagonist unbinding in the β(1) and β(2) adrenoceptors investigated by steered molecular dynamics, we attempt to provide further possibilities of ligand subtype and subspecies selectivity. We have simulated unbinding of β(1)-selective Esmolol and β(2)-selective ICI-1...

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Hlavní autoři: Selvam, Balaji, Wereszczynski, Jeff, Tikhonova, Irina G.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2012
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC3399986/
https://ncbi.nlm.nih.gov/pubmed/22530954
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1111/j.1747-0285.2012.01390.x
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