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The Journal of Physical Chemistry. B
|
June 3, 2025
Protonation State of Active-Site Histidines, Reaction Mechanism and Stereoselectivity in β-Alanine Synthase: A Computational Study
Wijitra Meelua, Ulf Ryde, Jitrayut Jitonnom
International Journal of Biological Macromolecules
|
February 15, 2024
QM/MM study of the catalytic reaction of aphid myrosinase
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Inorganic Biochemistry
|
October 24, 2009
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase
Yaxue Wang, Yong Shen, Ulf Ryde
Current Opinion in Structural Biology
|
August 15, 2021
Combining crystallography with quantum mechanics
Justin Bergmann, Esko Oksanen, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
January 17, 2004
On the role of the axial ligand in heme proteins: a theoretical study
Patrik Rydberg, Emma Sigfridsson, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
March 13, 2021
Critical evaluation of a crystal structure of nitrogenase with bound N<sub>2</sub> ligands
Justin Bergmann, Esko Oksanen, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 19, 2015
Conformational Entropies and Order Parameters: Convergence, Reproducibility, and Transferability
Samuel Genheden, Mikael Akke, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 22, 2015
Accurate Reaction Energies in Proteins Obtained by Combining QM/MM and Large QM Calculations
LiHong Hu, Pär Söderhjelm, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 24, 2015
Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in Proteins
Sophie Sumner, Pär Söderhjelm, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
May 30, 2009
Which functional groups of the molybdopterin ligand should be considered when modeling the active sites of the molybdenum and tungsten cofactors? A density functional theory study
Ulf Ryde, Carola Schulzke, Kerstin Starke
Page
of 24
Search research articles
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Showing results (71-80 of 240) with videos related to
Sort By:
Page
of 24
The Journal of Physical Chemistry. B
|
June 3, 2025
Protonation State of Active-Site Histidines, Reaction Mechanism and Stereoselectivity in β-Alanine Synthase: A Computational Study
Wijitra Meelua, Ulf Ryde, Jitrayut Jitonnom
International Journal of Biological Macromolecules
|
February 15, 2024
QM/MM study of the catalytic reaction of aphid myrosinase
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Inorganic Biochemistry
|
October 24, 2009
QM/MM study of the insertion of metal ion into protoporphyrin IX by ferrochelatase
Yaxue Wang, Yong Shen, Ulf Ryde
Current Opinion in Structural Biology
|
August 15, 2021
Combining crystallography with quantum mechanics
Justin Bergmann, Esko Oksanen, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
January 17, 2004
On the role of the axial ligand in heme proteins: a theoretical study
Patrik Rydberg, Emma Sigfridsson, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
March 13, 2021
Critical evaluation of a crystal structure of nitrogenase with bound N<sub>2</sub> ligands
Justin Bergmann, Esko Oksanen, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 19, 2015
Conformational Entropies and Order Parameters: Convergence, Reproducibility, and Transferability
Samuel Genheden, Mikael Akke, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 22, 2015
Accurate Reaction Energies in Proteins Obtained by Combining QM/MM and Large QM Calculations
LiHong Hu, Pär Söderhjelm, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 24, 2015
Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in Proteins
Sophie Sumner, Pär Söderhjelm, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
May 30, 2009
Which functional groups of the molybdopterin ligand should be considered when modeling the active sites of the molybdenum and tungsten cofactors? A density functional theory study
Ulf Ryde, Carola Schulzke, Kerstin Starke
Page
of 24