Molecular modeling of ligand-receptor interactions in GABA sub(C) receptor

A new homology model of the GABA binding site of the GABA sub(C) receptor was built. Natural agonist GABA and antagonist TPMPA were docked into the receptor and molecular dynamics simulation of the complexes was performed to clarify binding poses of the ligands. It was shown that orientation of the...

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Veröffentlicht in:	Journal of molecular graphics & modelling 2009-04, Vol.27 (7), p.813-821
Hauptverfasser:	Osolodkin, DI, Chupakhin, VI, Palyulin, V A, Zefirov, N S
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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