Structure Prediction, Molecular Dynamics Simulation and Docking Studies of D-Specific Dehalogenase from Rhizobium sp. RC1

Structure Prediction, Molecular Dynamics Simulation and Docking Studies of D-Specific Dehalogenase from Rhizobium sp. RC1

Currently, there is no three-dimensional structure of D-specific dehalogenase (DehD) in the protein database. We modeled DehD using ab initio technique, performed molecular dynamics (MD) simulation and docking of D-2-chloropropionate (D-2CP), D-2-bromopropionate (D-2BP), monochloroacetate (MCA), mon...

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Bibliographic Details
Main Authors: Ismaila Yada Sudi, Ee Lin Wong, Kwee Hong Joyce-Tan, Mohd Shahir Shamsir, Haryati Jamaluddin, Fahrul Huyop
Format: Article
Language:English
Published: MDPI AG 2012-11-01
Series:International Journal of Molecular Sciences
Subjects:
D-stereospecific dehalogenase
Rhizobium sp. RC1
DehD
interacting residues
docking
molecular dynamics simulation
Online Access:http://www.mdpi.com/1422-0067/13/12/15724

Internet

http://www.mdpi.com/1422-0067/13/12/15724

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