Searching low-energy conformations of two elastin sequences

Details Searching low-energy conformations of two elastin sequences Searching low-energy conformations of two elastin sequences

2004-04-04

arxiv.org/abs/q-bio/0404005v1

Eur. Phys. J. B 37, 223-228 (2004)

Biology

Quantitative Biology

Biomolecules

16 pages, 5 figures

Scientific paper

10.1140/epjb/e2004-00050-0

The three-dimensional structures of two common repeat motifs Val$^1$-Pro$^2$-Gly$^3$-Val$^4$-Gly$^5$ and Val$^1$-Gly$^2$-Val$^3$-Pro$^4$-Gly$^5$-Val$^6$-Gly$^7$-Val$^8$-Pro$^9$ of tropoelastin are investigated by using the multicanonical simulation procedure. By minimizing the energy structures along the trajectory the thermodynamically most stable low-energy microstates of the molecule are determined. The structural predictions are in good agreement with X-ray diffraction experiments.

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