STUDY OF ELASTIN SEQUENCES WITH SOLVENT INDUCED FORCE FIELD

Handan Arkin ()
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Handan Arkin: Department of Physics Engineering, Hacettepe University, Ankara, Turkey

International Journal of Modern Physics C (IJMPC), 2005, vol. 16, issue 09, 1339-1346

Abstract: Conformational structures of two common repeat motifs Val1-Pro2-Gly3-Val4-Gly5and Gly1-Leu2-Gly3-Gly4of tropoelastin are investigated by using the multicanonical simulation procedure with solvation effects included energy force field. The effects of solvation energy term on the conformations are determined by analyzing Ramachandran plots. By minimizing the energy structures along the trajectory, the thermodynamically most stable low-energy microstates of the molecule in aqueous solution are determined and the root mean square deviations of these structures with respect to the global minimum are calculated.

Keywords: Tropoelastin; molecular modeling; solvation energy; multicanonical simulation; energy minimization; 02.70.Lq; 05.50.+q; 82.20.Wt (search for similar items in EconPapers)
Date: 2005
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DOI: 10.1142/S0129183105007959

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