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| Title: | Molecular dynamics folding simulation of β-hairpins from protein G |
| Authors: | Fatahiya, Mohamed Tap
Ameera, Ishak
Ragheed, Hussam
Nurul Bahiyah, Ahmad Khairudin |
| E-mail: | fatahiyamohdtap@yahoo.com
nurulbahiyah@ic.utm.my |
| Keywords: | Molecular Dynamics (MD)
Protein folding
Protein G |
| Issue Date: | 27-Feb-2012 |
| Publisher: | Institute of Electrical and Electronics Engineers (IEEE) |
| Citation: | p. 123-128 |
| Series/Report no.: | Proceedings of the International Conference on Biomedical Engineering (ICoBE 2012) |
| Abstract: | The structure and trajectories of the 41–56 β-hairpins
from the protein G (PDB ID: 1GB1) has been studied using
Molecular Dynamics (MD) simulation. The purpose of this
project is to investigate the pathway of the folding process. The
simulation was run at 325 K for 50ns. The linear chain of the
protein sequence became completely folded to β-hairpin structure
at nearly 40ns. There were 18 interactions of hydrogen Bonds
involved in the model. The model was aligned to the Nuclear
Magnetic Resonance (NMR) structure with the RMSD value of
3.05 Å for overall structure and 1.04 Å for the turning part. The
values of RMSD showed the comparison of the model and the
native structure. |
| Description: | Link to publisher's homepage at http://ieeexplore.ieee.org/ |
| URI: | http://ezproxy.unimap.edu.my:2080/stamp/stamp.jsp?tp=&arnumber=6178968
http://hdl.handle.net/123456789/20839 |
| ISBN: | 978-145771989-9 |
| Appears in Collections: | Conference Papers
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Files in This Item:
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Description |
Size | Format |
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| 2B6.pdf | Access is limited to UniMAP community | 1.19 MB | Adobe PDF | View/Open |
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