Docking of photosystem I subunit C using a constrained geometric simulation

Craig C. Jolley, Stephen A. Wells, Brandon M. Hespenheide, Michael Thorpe, Petra Fromme

Research output: Contribution to journalArticlepeer-review

28 Scopus citations


The elucidation of assembly pathways of multi-subunit protein complexes is a problem of great interest in structural biology and biomolecular modeling. In this study, we use a new computer algorithm for the simulation of large-scale motion in proteins to dock the subunit PsaC onto Photosystem I. We find that a complicated docking pathway involving multiple conformational changes can be quickly simulated by actively targeting only a few residues at a time to their target positions. Simulations for two possible docking scenarios are explored, and experimental approaches to distinguish between them are discussed.

Original languageEnglish (US)
Pages (from-to)8803-8812
Number of pages10
JournalJournal of the American Chemical Society
Issue number27
StatePublished - Jul 12 2006

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


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