Application of a Ligand-Based Theoretical Approach to Derive Conversion Paths and Ligand Conformations in CYP11B2-Mediated Aldosterone Formation

Luc Roumen, Bram Van Hoof, Koen Pieterse, Peter A. J. Hilbers, Erica M. G. Custers, Ralf Plate, Marcel De Gooyer, Ilona P. E. Beugels, Judith M. A. Emmen, Dirk Leysen, Jos F. M. Smits, Harry C. J. Ottenheijm, J. J. Rob Hermans*

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

2 Citations (Web of Science)
Original languageEnglish
Pages (from-to)2441-2448
JournalJournal of Computational Chemistry
Issue number11
Publication statusPublished - Aug 2011


  • CYP11B1
  • CYP11B2
  • aldosterone synthesis
  • Fukui index
  • multistep conversion

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