Molecular Dynamics Simulations Reveal Fundamental Role of Water As Factor Determining Affinity of Binding of ß-Blocker Nebivolol to ß2-Adrenergic Receptor

Karol Kaszuba, Tomasz Rog, Krzystof Bryl, Ilpo Vattulainen, Mikko Karttunen

Research output: Contribution to journalArticleScientificpeer-review

27 Citations (Scopus)
Original languageEnglish
Pages (from-to)8374-8386
JournalJournal of Physical Chemistry B
Volume114
Publication statusPublished - 2010
MoE publication typeA1 Journal article-refereed

Keywords

  • beta blocker
  • simulation

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