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Dynamics and hydration of the active sites of mammalian cytochromes P450 probed by molecular dynamics simulations

  • Tereza Hendrychová
  • , Karel Berka
  • , Veronika Navrátilová
  • , Pavel Anzenbacher
  • , Michal Otyepka
  • Palacký University
  • Department of Pharmacology

Research output: Contribution to journal › Article › peer-review

Original languageEnglish
Pages (from-to)177-189
Number of pages13
JournalCurrent Drug Metabolism
Volume13
Issue number2
DOIs
StatePublished - Feb 2012
Externally publishedYes

ASJC Scopus Subject Areas

  • Pharmacology
  • Clinical Biochemistry

Keywords

  • Active site
  • Channels
  • Cytochrome P450
  • Flexibility
  • Main chain
  • Molecular dynamics
  • Side chain
  • Solvation

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