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

Hajime Okamoto, Kyozaburo Takeda, Kenji Shiraishi

研究成果: Article査読

20 被引用数 (Scopus)


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.

ジャーナルPhysical Review B - Condensed Matter and Materials Physics
出版ステータスPublished - 2001

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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