Literature DB >> 24410477

Quantum chemical studies of mechanisms for metalloenzymes.

Margareta R A Blomberg1, Tomasz Borowski, Fahmi Himo, Rong-Zhen Liao, Per E M Siegbahn.   

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Year:  2014        PMID： 24410477     DOI： 10.1021/cr400388t

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  85 in total

1.  Theoretical study of the mechanism of the manganese catalase KatB.

Authors:  Xi-Xi Yang; Qiu-Yun Mao; Xiao-Ting An; Xi-Chen Li; Per E M Siegbahn; Guang-Ju Chen; Hong-Wei Tan
Journal:  J Biol Inorg Chem       Date:  2018-12-05       Impact factor: 3.358

2.  Analyses of cobalt-ligand and potassium-ligand bond lengths in metalloproteins: trends and patterns.

Authors:  Natércia F Brás; António J M Ribeiro; Marina Oliveira; Nathália M Paixão; Juan A Tamames; Pedro A Fernandes; Maria J Ramos
Journal:  J Mol Model       Date:  2014-05-22       Impact factor: 1.810

Review 3.  Metal Ion Modeling Using Classical Mechanics.

Authors:  Pengfei Li; Kenneth M Merz
Journal:  Chem Rev       Date:  2017-01-03       Impact factor: 60.622

4.  Simulation of the isotropic EXAFS spectra for the S2 and S3 structures of the oxygen evolving complex in photosystem II.

Authors:  Xichen Li; Per E M Siegbahn; Ulf Ryde
Journal:  Proc Natl Acad Sci U S A       Date:  2015-03-16       Impact factor: 11.205

5.  Perspective: Quantum mechanical methods in biochemistry and biophysics.

Authors:  Qiang Cui
Journal:  J Chem Phys       Date:  2016-10-14       Impact factor: 3.488

6.  Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities.

Authors:  Konstantinos D Vogiatzis; Mikhail V Polynski; Justin K Kirkland; Jacob Townsend; Ali Hashemi; Chong Liu; Evgeny A Pidko
Journal:  Chem Rev       Date:  2018-10-30       Impact factor: 60.622

Review 7.  Metalloproteins containing cytochrome, iron-sulfur, or copper redox centers.

Authors:  Jing Liu; Saumen Chakraborty; Parisa Hosseinzadeh; Yang Yu; Shiliang Tian; Igor Petrik; Ambika Bhagi; Yi Lu
Journal:  Chem Rev       Date:  2014-04-23       Impact factor: 60.622

Review 8.  Mono- and binuclear non-heme iron chemistry from a theoretical perspective.

Authors:  Tibor András Rokob; Jakub Chalupský; Daniel Bím; Prokopis C Andrikopoulos; Martin Srnec; Lubomír Rulíšek
Journal:  J Biol Inorg Chem       Date:  2016-05-26       Impact factor: 3.358

9.  Nucleophilic water attack is not a possible mechanism for O-O bond formation in photosystem II.

Authors:  Per E M Siegbahn
Journal:  Proc Natl Acad Sci U S A       Date:  2017-04-24       Impact factor: 11.205

10.  QM/MM Analysis of Transition States and Transition State Analogues in Metalloenzymes.

Authors:  D Roston; Q Cui
Journal:  Methods Enzymol       Date:  2016-07-01       Impact factor: 1.600
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