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Molecular dynamics folding simulation of amyloid a4 peptide in implicit solvent

Ahmad Khairudin, Nurulbahiyah and Tap, Fatahiya Mohamed (2014) Molecular dynamics folding simulation of amyloid a4 peptide in implicit solvent. International Journal Of Bioscience, Biochemistry And Bioinformatics, 4 (5). pp. 347-350. ISSN 2010-3638

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Official URL: http://dx.doi.org/10.7763/IJBBB.2014.V4.369

Abstract

The objectives of this study is to investigate the pathway of Amyloid A4 peptide (Pdb id: 1AML) folding and to study the interactions involved during the process. The folding process was performed using molecular dynamics (MD) simulation in implicit solvent method. This protein was simulated up to 350 ns. The trajectories of the folded protein were analyzed based on RMSD, hydrogen bond formation and secondary structure evolution. The results showed that there were a few crucial interactions involved in the folding process and important residues that stabilized the folded peptide were also identified.

Item Type:Article
Subjects:A General Works
ID Code:59844
Deposited By: Haliza Zainal
Deposited On:23 Jan 2017 08:24
Last Modified:14 Jun 2017 16:01

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