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Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation
Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation
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Effect of mutation on the stabilization energy of HIV-1 zinc fingers: a hybrid local self-consistent field/molecular mechanics investigation

Drici, Nedjoua ; Krallafa, Mohamed Abdelghani

Journal of biological inorganic chemistry, 2017, Vol.22 (1), p.109-119 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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2
first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies
first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies
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first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies

Capece, Luciana ; Lewis-Ballester, Ariel ; Batabyal, Dipanwita ; Di Russo, Natali ; Yeh, Syun-Ru ; Estrin, Dario A ; Marti, Marcelo A

Journal of biological inorganic chemistry, 2010-08, Vol.15 (6), p.811-823 [Periódico revisado por pares]

Berlin/Heidelberg: Berlin/Heidelberg : Springer-Verlag

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3
A realistic in silico model for structure/function studies of molybdenum–copper CO dehydrogenase
A realistic in silico model for structure/function studies of molybdenum–copper CO dehydrogenase
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A realistic in silico model for structure/function studies of molybdenum–copper CO dehydrogenase

Rokhsana, Dalia ; Large, Tao A. G. ; Dienst, Morgan C. ; Retegan, Marius ; Neese, Frank

Journal of biological inorganic chemistry, 2016-07, Vol.21 (4), p.491-499 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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4
A quantum-mechanical study of the reaction mechanism of sulfite oxidase
A quantum-mechanical study of the reaction mechanism of sulfite oxidase
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A quantum-mechanical study of the reaction mechanism of sulfite oxidase

van Severen, Marie-Céline ; Andrejić, Milica ; Li, Jilai ; Starke, Kerstin ; Mata, Ricardo A. ; Nordlander, Ebbe ; Ryde, Ulf

Journal of biological inorganic chemistry, 2014-10, Vol.19 (7), p.1165-1179 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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5
Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: a quantum mechanical/molecular mechanical study
Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: a quantum mechanical/molecular mechanical study
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Coupling and uncoupling mechanisms in the methoxythreonine mutant of cytochrome P450cam: a quantum mechanical/molecular mechanical study

Altarsha, Muhannad ; Benighaus, Tobias ; Kumar, Devesh ; Thiel, Walter

Journal of biological inorganic chemistry, 2010-03, Vol.15 (3), p.361-372 [Periódico revisado por pares]

Berlin/Heidelberg: Berlin/Heidelberg : Springer-Verlag

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6
Density functional study of the catalytic cycle of nickel-iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)
Density functional study of the catalytic cycle of nickel-iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)
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Density functional study of the catalytic cycle of nickel-iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)

Pardo, Alejandro ; De Lacey, Antonio L ; Fernández, Víctor M ; Fan, Hua-Jun ; Fan, Yubo ; Hall, Michael B

Journal of biological inorganic chemistry, 2006-04, Vol.11 (3), p.286-306 [Periódico revisado por pares]

Germany

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7
combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
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combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase

Fuchs, Michael G. G ; Meyer, Franc ; Ryde, Ulf

Journal of biological inorganic chemistry, 2010-02, Vol.15 (2), p.203-212 [Periódico revisado por pares]

Berlin/Heidelberg: Berlin/Heidelberg : Springer-Verlag

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8
Structural and functional role of nickel ions in urease by molecular dynamics simulation
Structural and functional role of nickel ions in urease by molecular dynamics simulation
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Structural and functional role of nickel ions in urease by molecular dynamics simulation

Lv, Jing ; Jiang, Yongjun ; Yu, Qingsen ; Lu, Shaoyong

Journal of biological inorganic chemistry, 2011, Vol.16 (1), p.125-135 [Periódico revisado por pares]

Berlin/Heidelberg: Berlin/Heidelberg : Springer-Verlag

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9
Characterization of the active site of catalytically inactive forms of [NiFe] hydrogenases by density functional theory
Characterization of the active site of catalytically inactive forms of [NiFe] hydrogenases by density functional theory
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Characterization of the active site of catalytically inactive forms of [NiFe] hydrogenases by density functional theory

Pardo, Alejandro ; De Lacey, Antonio L ; Fernández, Víctor M ; Fan, Yubo ; Hall, Michael B

Journal of biological inorganic chemistry, 2007-08, Vol.12 (6), p.751-760 [Periódico revisado por pares]

Germany

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10
Kinetic and mechanistic studies of the reactions of nitrogen monoxide and nitrite with ferryl myoglobin
Kinetic and mechanistic studies of the reactions of nitrogen monoxide and nitrite with ferryl myoglobin
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Kinetic and mechanistic studies of the reactions of nitrogen monoxide and nitrite with ferryl myoglobin

Herold, S ; Rehmann, F J

Journal of biological inorganic chemistry, 2001-06, Vol.6 (5-6), p.543-555 [Periódico revisado por pares]

Germany

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