Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase

We have applied molecular dynamics methods as a tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a...

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Main Authors:	Noorbatcha, Ibrahim Ali, Mohd. Salleh, Hamzah
Format:	Conference or Workshop Item
Language:	English
Published:	2011
Subjects:	TP248.13 Biotechnology
Online Access:	http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf

id	iium-3954
recordtype	eprints
spelling	iium-39542012-01-07T11:59:11Z http://irep.iium.edu.my/3954/ Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah TP248.13 Biotechnology We have applied molecular dynamics methods as a tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Bacillus circulans xylanase (BcX) have been carried at 318K (optimum catalytic temperature) and 343K (BcX reported inactive temperature). Structural analysis revealed that the fluctuations of the β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum temperature. 2011-05-17 Conference or Workshop Item PeerReviewed application/pdf en http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf Noorbatcha, Ibrahim Ali and Mohd. Salleh, Hamzah (2011) Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase. In: International Conference on Biotechnology Engineering, ICBioE’11, 17-19 May, 2011 , Kuala Lumpur. http://www.iium.edu.my/icbioe/2011/
repository_type	Digital Repository
institution_category	Local University
institution	International Islamic University Malaysia
building	IIUM Repository
collection	Online Access
language	English
topic	TP248.13 Biotechnology
spellingShingle	TP248.13 Biotechnology Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
description	We have applied molecular dynamics methods as a tool in designing thermostable Bacillus circulans Xylanase, by examining Root Mean Square Deviation (RMSD) of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Bacillus circulans xylanase (BcX) have been carried at 318K (optimum catalytic temperature) and 343K (BcX reported inactive temperature). Structural analysis revealed that the fluctuations of the β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum temperature.
format	Conference or Workshop Item
author	Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah
author_facet	Noorbatcha, Ibrahim Ali Mohd. Salleh, Hamzah
author_sort	Noorbatcha, Ibrahim Ali
title	Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
title_short	Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
title_full	Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
title_fullStr	Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
title_full_unstemmed	Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase
title_sort	molecular dynamics approach in designing thermostable bacillus circulans xylanase
publishDate	2011
url	http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/ http://irep.iium.edu.my/3954/1/MD_Appr_in_Desig_Thermostable_B_circulans_Xylanase_pg292-294.pdf
first_indexed	2023-09-18T20:11:57Z
last_indexed	2023-09-18T20:11:57Z
_version_	1777407536994975744

Molecular dynamics approach in designing Thermostable Bacillus circulans Xylanase

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