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- W2088363411 abstract "Abstract Methanogenic archeans are organisms of considerable ecological and biotechnological interest, which produce methane through a restricted metabolic pathway. In the present article, homology modeling and molecular dynamics (MD) simulations were employed to construct the three‐dimensional structures of the alpha Methyl‐coenzyme M reductase (MCR_α) of the Methanogenic archeans from Tucuruí hydroelectric dam in eastern Brazilian Amazonia. The models obtained of the archean MCR_α presented approximately 70% and 69% sequence identity in comparison with the MCR_α from Methanopyrus klanderi and Methanosarcina barkeri , respectively. The analysis of the homology modeling and MD simulation indicates that our theoretical prediction is consistent with known experimental data and show that 3D structures of the MCR_α from archeans of different orders tend to be well‐conserved. In additional, the electrostatic surface potentials were obtained and compared for the MCR_α from the two different forms. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010" @default.
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- W2088363411 date "2010-04-21" @default.
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- W2088363411 title "Homology modeling and molecular dynamics simulation of an alpha methyl coenzyme M reductase from methanogenic archea" @default.
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- W2088363411 doi "https://doi.org/10.1002/qua.22607" @default.
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