Molecular dynamics folding simulation of β-hairpins from protein G

Fatahiya, Mohamed Tap; Ameera, Ishak; Ragheed, Hussam; Nurul Bahiyah, Ahmad Khairudin

Please use this identifier to cite or link to this item: http://dspace.unimap.edu.my:80/xmlui/handle/123456789/20839

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DC Field	Value	Language
dc.contributor.author	Fatahiya, Mohamed Tap	-
dc.contributor.author	Ameera, Ishak	-
dc.contributor.author	Ragheed, Hussam	-
dc.contributor.author	Nurul Bahiyah, Ahmad Khairudin	-
dc.date.accessioned	2012-09-05T13:28:15Z	-
dc.date.available	2012-09-05T13:28:15Z	-
dc.date.issued	2012-02-27	-
dc.identifier.citation	p. 123-128	en_US
dc.identifier.isbn	978-145771989-9	-
dc.identifier.uri	http://ezproxy.unimap.edu.my:2080/stamp/stamp.jsp?tp=&arnumber=6178968	-
dc.identifier.uri	http://dspace.unimap.edu.my/123456789/20839	-
dc.description	Link to publisher's homepage at http://ieeexplore.ieee.org/	en_US
dc.description.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.	en_US
dc.language.iso	en	en_US
dc.publisher	Institute of Electrical and Electronics Engineers (IEEE)	en_US
dc.relation.ispartofseries	Proceedings of the International Conference on Biomedical Engineering (ICoBE 2012)	en_US
dc.subject	Molecular Dynamics (MD)	en_US
dc.subject	Protein folding	en_US
dc.subject	Protein G	en_US
dc.title	Molecular dynamics folding simulation of β-hairpins from protein G	en_US
dc.type	Working Paper	en_US
dc.contributor.url	fatahiyamohdtap@yahoo.com	en_US
dc.contributor.url	nurulbahiyah@ic.utm.my	en_US
Appears in Collections:	Conference Papers

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