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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 16, 2011
Probing the effects of one-electron reduction and protonation on the electronic properties of the Fe-S clusters in the active-ready form of [FeFe]-hydrogenases. A QM/MM investigation
Claudio Greco, Maurizio Bruschi, Piercarlo Fantucci, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2019
Are crystallographic B-factors suitable for calculating protein conformational entropy?
Octav Caldararu, Rohit Kumar, Esko Oksanen, et al.
Acta Crystallographica. Section D, Structural Biology
|
January 8, 2020
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data. Corrigendum
Octav Caldararu, Francesco Manzoni, Esko Oksanen, et al.
Inorganic Chemistry
|
November 8, 2024
Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase: H<sub>2</sub>O<sub>2</sub>- versus O<sub>2</sub>-Activation
Marlisa M Hagemann, Erna K Wieduwilt, Ulf Ryde, et al.
Inorganic Chemistry
|
July 9, 2019
Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
Lili Cao, Melanie C Börner, Justin Bergmann, et al.
Journal of the American Chemical Society
|
September 28, 2011
Mechanistic and physiological implications of the interplay among iron-sulfur clusters in [FeFe]-hydrogenases. A QM/MM perspective
Claudio Greco, Maurizio Bruschi, Piercarlo Fantucci, et al.
Dalton Transactions (Cambridge, England : 2003)
|
January 11, 2020
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?
Ernst D Larsson, Geng Dong, Valera Veryazov, et al.
Journal of Computer-Aided Molecular Design
|
December 27, 2011
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods
Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, et al.
Inorganic Chemistry
|
June 4, 2010
A five-coordinate [2Fe-2S] cluster
Michael G G Fuchs, Sebastian Dechert, Serhiy Demeshko, et al.
Acta Crystallographica. Section D, Structural Biology
|
October 8, 2025
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement
Gayathri Yuvaraj, Kristoffer J M Lundgren, Elija Veenman, et al.
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Search research articles
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Showing results (181-190 of 240) with videos related to
Sort By:
Page
of 24
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 16, 2011
Probing the effects of one-electron reduction and protonation on the electronic properties of the Fe-S clusters in the active-ready form of [FeFe]-hydrogenases. A QM/MM investigation
Claudio Greco, Maurizio Bruschi, Piercarlo Fantucci, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 8, 2019
Are crystallographic B-factors suitable for calculating protein conformational entropy?
Octav Caldararu, Rohit Kumar, Esko Oksanen, et al.
Acta Crystallographica. Section D, Structural Biology
|
January 8, 2020
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data. Corrigendum
Octav Caldararu, Francesco Manzoni, Esko Oksanen, et al.
Inorganic Chemistry
|
November 8, 2024
Investigating the Substrate Oxidation Mechanism in Lytic Polysaccharide Monooxygenase: H<sub>2</sub>O<sub>2</sub>- versus O<sub>2</sub>-Activation
Marlisa M Hagemann, Erna K Wieduwilt, Ulf Ryde, et al.
Inorganic Chemistry
|
July 9, 2019
Geometry and Electronic Structure of the P-Cluster in Nitrogenase Studied by Combined Quantum Mechanical and Molecular Mechanical Calculations and Quantum Refinement
Lili Cao, Melanie C Börner, Justin Bergmann, et al.
Journal of the American Chemical Society
|
September 28, 2011
Mechanistic and physiological implications of the interplay among iron-sulfur clusters in [FeFe]-hydrogenases. A QM/MM perspective
Claudio Greco, Maurizio Bruschi, Piercarlo Fantucci, et al.
Dalton Transactions (Cambridge, England : 2003)
|
January 11, 2020
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes?
Ernst D Larsson, Geng Dong, Valera Veryazov, et al.
Journal of Computer-Aided Molecular Design
|
December 27, 2011
Binding affinities in the SAMPL3 trypsin and host-guest blind tests estimated with the MM/PBSA and LIE methods
Paulius Mikulskis, Samuel Genheden, Patrik Rydberg, et al.
Inorganic Chemistry
|
June 4, 2010
A five-coordinate [2Fe-2S] cluster
Michael G G Fuchs, Sebastian Dechert, Serhiy Demeshko, et al.
Acta Crystallographica. Section D, Structural Biology
|
October 8, 2025
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement
Gayathri Yuvaraj, Kristoffer J M Lundgren, Elija Veenman, et al.
Page
of 24