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Computational Study of the Peroxygenase Mechanism Catalyzed..:

Shiqing Zhang (652535) ; Xinyi Li (1778476) ; Yijing Wang (227101)...
https://figshare.com/articles/journal_contribution/Computational_Study_of_the_Peroxygenase_Mechanism_Catalyzed_by_Hemoglobin_Dehaloperoxidase_Involved_in_the_Degradation_of_Chlorophenols/19071256. , 2022

Link: https://doi.org/10.1021/acs.inorgchem.1c03721.s001

RT Journal
T1 <Title>Computational Study of the Peroxygenase Mechanism Catalyzed by Hemoglobin Dehaloperoxidase Involved in the Degradation of Chlorophenols</Title>

UL https://suche.suub.uni-bremen.de/peid=base-ftsmithonian:oai:figshare.com:article_19071256&Exemplar=1&LAN=DE
				
A1 Shiqing Zhang (652535)
A1 Xinyi Li (1778476)
A1 Yijing Wang (227101)
A1 Jingjing Wei (478970)
A1 Xue Zhang (166886)
A1 Yongjun Liu (291644)
YR 2022
K1 Biophysics
K1 Biochemistry
K1 Biotechnology
K1 Cancer
K1 Infectious Diseases
K1 Computational Biology
K1 Biological Sciences not elsewhere classified
K1 Chemical Sciences not elsewhere classified
K1 Information Systems not elsewhere classified
K1 resolution crystal structure
K1 prior electron transfer
K1 biochemical evidence showed
K1 mutant study indicates
K1 molecular mechanical calculations
K1 peroxygenase mechanism catalyzed
K1 hydrogen atom abstraction
K1 hemoglobin dehaloperoxidase involved
K1 peroxygenase mechanism
K1 hemoglobin dehaloperoxidase
K1 quantum mechanical
K1 computational study
K1 triggered either
K1 titratable residues
K1 quartet state
K1 previously suggested
K1 porphyrin group
K1 multifunctional hemoprotein
K1 limiting step
K1 hydroxyl group
K1 feasibility depends
K1 fe 
K1 energy barrier
K1 directly involves
K1 dhp b
K1 computational models
K1 cl -<
K1 calculation results
K1 atomistic level
K1 amphitrite ornata
K1 >- cresol
K1 7 kcal
JF https://figshare.com/articles/journal_contribution/Computational_Study_of_the_Peroxygenase_Mechanism_Catalyzed_by_Hemoglobin_Dehaloperoxidase_Involved_in_the_Degradation_of_Chlorophenols/19071256
LK http://dx.doi.org/https://doi.org/10.1021/acs.inorgchem.1c03721.s001
DO https://doi.org/10.1021/acs.inorgchem.1c03721.s001
SF ELIB - SuUB Bremen

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