2026-09-22T09:06:27Zhttps://dspace.mit.edu/server/oai/requestoai:dspace.mit.edu:1721.1/415852022-01-13T07:54:41Zcom_1721.1_7582com_1721.1_7581col_1721.1_131024
Nicola Marzari.
Li, Chen, S.B. Massachusetts Institute of Technology
Massachusetts Institute of Technology. Dept. of Physics.
Massachusetts Institute of Technology. Department of Physics
2008-05-19T15:57:07Z
2008-05-19T15:57:07Z
2007
2007
http://hdl.handle.net/1721.1/41585
212377177
Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Physics, 2007.
Includes bibliographical references (leaves 47-49).
This thesis presents an ab initio study of biological molecules using first-principles molecular dynamics. Density functional theory and Car-Parrinello molecular dynamics are used in the computational modeling of the water molecules and the amyloidforming peptide GNNQQNY derived from the yeast prion protein Sup35. The Young's modulus of the fibril obtained from the ab initio method is larger than the experimentally reported value, which can be improved with a more complete understanding of the physical properties of the fibril.
by Chen Li.
S.B.
49 leaves
eng
Massachusetts Institute of Technology
M.I.T. theses are protected by
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http://dspace.mit.edu/handle/1721.1/7582
Physics.
First-principles modeling of the amyloid-forming peptide GNNQQNY
Thesis
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