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Ligand Binding to the Voltage-Gated Kv1.5 Potassium Channel in the Open State—Docking and Computer Simulations of a Homology Model()

The binding of blockers to the human voltage-gated Kv1.5 potassium ion channel is investigated using a three-step procedure consisting of homology modeling, automated docking, and binding free energy calculations from molecular dynamics simulations, in combination with the linear interaction energy...

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Autori principali: Andér, Martin, Luzhkov, Victor B., Åqvist, Johan
Natura: Artigo
Lingua:Inglês
Pubblicazione: The Biophysical Society 2008
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2186239/
https://ncbi.nlm.nih.gov/pubmed/17905851
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.107.112045
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