TY - GEN
T1 - Electrical field manipulation of peptide nanotube at finite temperature (a DFT/MD study)
AU - Clark, Richard
AU - Igami, Daiki
AU - Takeda, Kyozaburo
PY - 2013/1/1
Y1 - 2013/1/1
N2 - The effect of applied electric field on a base class of peptide nanotubes (PNT) is simulated using molecular dynamics (MD). A conformational change in the base ring components is found at critical electric field strength, resulting in macroscopic changes to the nanotube (overall length, torque, pore radius, dipole, etc). The effect of temperature, solvent, and computational method is explored.
AB - The effect of applied electric field on a base class of peptide nanotubes (PNT) is simulated using molecular dynamics (MD). A conformational change in the base ring components is found at critical electric field strength, resulting in macroscopic changes to the nanotube (overall length, torque, pore radius, dipole, etc). The effect of temperature, solvent, and computational method is explored.
KW - Molecular Dynamics
KW - Nanoring
KW - Nanotube
KW - Peptide Nanostructures
UR - http://www.scopus.com/inward/record.url?scp=84903143921&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84903143921&partnerID=8YFLogxK
U2 - 10.1063/1.4848347
DO - 10.1063/1.4848347
M3 - Conference contribution
AN - SCOPUS:84903143921
SN - 9780735411944
T3 - AIP Conference Proceedings
SP - 185
EP - 186
BT - Physics of Semiconductors - Proceedings of the 31st International Conference on the Physics of Semiconductors, ICPS 2012
PB - American Institute of Physics Inc.
T2 - 31st International Conference on the Physics of Semiconductors, ICPS 2012
Y2 - 29 July 2012 through 3 August 2012
ER -