On the compatibility criteria for protein encapsulation inside mesoporous materials

Lara Giussani, Ettore Fois, Enrica Gianotti, Gloria Tabacchi, Aldo Gamba, Salvatore Coluccia

Research output: Contribution to journalArticlepeer-review

Abstract

The properties of the enzyme pepsin, relevant to its incorporation inside the channels of mesoporous silica materials in the preparation of bioinorganic hybrids, are highlighted by molecular dynamics simulations of aqueous solutions of the protein under conditions optimal for encapsulation in SBA-15. The protein size, shape, flexibility and surface properties are calculated with the aim of deriving general accessibility/compatibility criteria favouring encapsulation inside mesoporous systems.

Original languageEnglish
Pages (from-to)1757-1762
Number of pages6
JournalChemPhysChem
Volume11
Issue number8
DOIs
Publication statusPublished - 7 Jun 2010
Externally publishedYes

Keywords

  • Bioinorganic chemistry
  • Enzyme models
  • Molecular dynamics
  • Organic-inorganic hybrid composites
  • Pepsin

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