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Proceedings Paper

Molecular dynamics of protein folding
Author(s): Zakhar M. Frenkel; Alexander I. Melker
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Paper Abstract

In this contribution, we report on a study of the self-organization of polypeptides. The process is computer simulated by the method of molecular dynamics. In a previous work we reported about three types of self-organization observe in our calcuations: stable and unstable globule and 'intermediate' globule. To each type of self-organization corresponds a special type of temperature-time dependence. A new set of self-organization simulations with calculation of drift and vibrational components of atom velocities has provided us an explanation of the obtained results.

Paper Details

Date Published: 10 October 2003
PDF: 13 pages
Proc. SPIE 5127, Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (10 October 2003); doi: 10.1117/12.517941
Show Author Affiliations
Zakhar M. Frenkel, St. Petersburg State Technical Univ. (Russia)
Alexander I. Melker, St. Petersburg State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 5127:
Sixth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering
Alexander I. Melker, Editor(s)

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