First-principles study of the electronic and molecular structure of protein nanotubes

Hajime Okamoto, Kyozaburo Takeda, Kenji Shiraishi

Research output: Contribution to journalArticle

20 Citations (Scopus)

Abstract

The electronic and molecular structures of protein nanotubes (PNT’s) have been investigated theoretically by first-principles electronic structure calculations. The results have been discussed in comparison to those of the polypeptide open chains (POC’s) and polypeptide closed rings (PCR’s) in order to give a systematic understanding. Focusing on the intra-ring and inter-ring hydrogen bonds (HB’s), we also investigate the PCR stacking mechanism. The present calculation reveals that PNT’s are semiconductors and that an extra proton in the tube interior has the potential to be an electron acceptor.

Original languageEnglish
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume64
Issue number11
DOIs
Publication statusPublished - 2001 Jan 1

    Fingerprint

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this