The early stage of a β-hairpin folding: The role of water molecules

Feng Yin Li, Yuming Chen, Zhi Qiang You, Chung Yuan Mou

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


Water has been shown to play a crucial role in stability and catalytical function. Our purpose is to understand the salvation behavior of water molecules during the folding process, in particular, a deca-peptide β-hairpin folding. We performed molecular dynamics simulation by employing AMBER6.0 with an explicit water model. The results indicate that water molecules surrounding a biomolecule can be categorized into at least three shells.

Original languageEnglish
Pages (from-to)783-789
Number of pages7
JournalJournal of the Chinese Chemical Society
Issue number5
Publication statusPublished - 2002
Externally publishedYes


  • Hydration
  • Protein folding
  • β-Hairpin

ASJC Scopus subject areas

  • Chemistry(all)


Dive into the research topics of 'The early stage of a β-hairpin folding: The role of water molecules'. Together they form a unique fingerprint.

Cite this