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Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 22, 2009
A combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
Michael G G Fuchs, Franc Meyer, Ulf Ryde
The Journal of Physical Chemistry. B
|
September 11, 2008
QM/MM-PBSA method to estimate free energies for reactions in proteins
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Chemical Physics
|
January 11, 2007
Performance of density functionals for first row transition metal systems
Kasper P Jensen, Björn O Roos, Ulf Ryde
The Journal of Physical Chemistry. B
|
April 7, 2009
Reaction mechanism of manganese superoxide dismutase studied by combined quantum and molecular mechanical calculations and multiconfigurational methods
Martin Srnec, Francesco Aquilante, Ulf Ryde, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy Perturbations
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Physical Chemistry. B
|
December 2, 2025
Computational Evidence for a Water-Assisted Proton-Transfer Mechanism in Uronate Isomerase from <i>Bacillus Halodurans</i> (Bh0493)
Wijitra Jitonnom, Julianna Oláh, Ulf Ryde, et al.
The Journal of Physical Chemistry. A
|
September 30, 2009
Do quantum mechanical energies calculated for small models of protein-active sites converge?
LiHong Hu, Jenny Eliasson, Jimmy Heimdal, et al.
Inorganic Chemistry
|
October 28, 2022
QM/MM Study of Partial Dissociation of S2B for the E<sub>2</sub> Intermediate of Nitrogenase
Hao Jiang, Oskar K G Svensson, Ulf Ryde
Journal of Chemical Theory and Computation
|
December 1, 2015
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
Samuel Genheden, Jacob Kongsted, Pär Söderhjelm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
Samuel Genheden, Carl Diehl, Mikael Akke, et al.
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of 24
Search research articles
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Showing results (111-120 of 240) with videos related to
Sort By:
Page
of 24
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
September 22, 2009
A combined computational and experimental investigation of the [2Fe-2S] cluster in biotin synthase
Michael G G Fuchs, Franc Meyer, Ulf Ryde
The Journal of Physical Chemistry. B
|
September 11, 2008
QM/MM-PBSA method to estimate free energies for reactions in proteins
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Chemical Physics
|
January 11, 2007
Performance of density functionals for first row transition metal systems
Kasper P Jensen, Björn O Roos, Ulf Ryde
The Journal of Physical Chemistry. B
|
April 7, 2009
Reaction mechanism of manganese superoxide dismutase studied by combined quantum and molecular mechanical calculations and multiconfigurational methods
Martin Srnec, Francesco Aquilante, Ulf Ryde, et al.
Journal of Chemical Theory and Computation
|
December 2, 2015
Proton Transfer at Metal Sites in Proteins Studied by Quantum Mechanical Free-Energy Perturbations
Markus Kaukonen, Pär Söderhjelm, Jimmy Heimdal, et al.
The Journal of Physical Chemistry. B
|
December 2, 2025
Computational Evidence for a Water-Assisted Proton-Transfer Mechanism in Uronate Isomerase from <i>Bacillus Halodurans</i> (Bh0493)
Wijitra Jitonnom, Julianna Oláh, Ulf Ryde, et al.
The Journal of Physical Chemistry. A
|
September 30, 2009
Do quantum mechanical energies calculated for small models of protein-active sites converge?
LiHong Hu, Jenny Eliasson, Jimmy Heimdal, et al.
Inorganic Chemistry
|
October 28, 2022
QM/MM Study of Partial Dissociation of S2B for the E<sub>2</sub> Intermediate of Nitrogenase
Hao Jiang, Oskar K G Svensson, Ulf Ryde
Journal of Chemical Theory and Computation
|
December 1, 2015
Nonpolar Solvation Free Energies of Protein-Ligand Complexes
Samuel Genheden, Jacob Kongsted, Pär Söderhjelm, et al.
Journal of Chemical Theory and Computation
|
December 1, 2015
Starting-Condition Dependence of Order Parameters Derived from Molecular Dynamics Simulations
Samuel Genheden, Carl Diehl, Mikael Akke, et al.
Page
of 24