抄録
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.
本文言語 | English |
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ジャーナル | Physical Review B - Condensed Matter and Materials Physics |
巻 | 64 |
号 | 11 |
DOI | |
出版ステータス | Published - 2001 |
ASJC Scopus subject areas
- 電子材料、光学材料、および磁性材料
- 凝縮系物理学