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The Journal of Chemical Physics
|
May 13, 2006
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
Thomas H Rod, Patrik Rydberg, Ulf Ryde
Journal of Chemical Theory and Computation
|
May 18, 2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
Casper Steinmann, Martin A Olsson, Ulf Ryde
Journal of the American Chemical Society
|
March 17, 2010
Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligand
Ulf Ryde, Claudio Greco, Luca De Gioia
Journal of Biomolecular NMR
|
March 18, 2005
NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S
Ya-Wen Hsiao, Torbjörn Drakenberg, Ulf Ryde
International Journal of Biological Macromolecules
|
March 7, 2026
QM/MM study of the catalytic reaction of potato epoxide hydrolase
Maryam Haji Dehabadi, Ulf Ryde, Mehdi Irani
Journal of the American Chemical Society
|
July 30, 2025
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Iria Bolaño Losada, Ulf Ryde, Petter Persson
The Journal of Physical Chemistry. A
|
February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential <i>Ab Initio</i> Study of a Minimal Nitrogenase [Fe(SH)<sub>4</sub>H]<sup>-</sup> Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Acta Crystallographica. Section D, Structural Biology
|
October 6, 2020
Automated orientation of water molecules in neutron crystallographic structures of proteins
Axl Eriksson, Octav Caldararu, Ulf Ryde, et al.
The Journal of Physical Chemistry. B
|
June 4, 2015
Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum- and Molecular-Mechanical Free-Energy Perturbation Methods
Jilai Li, Maryam Farrokhnia, Lubomír Rulíšek, et al.
The Journal of Chemical Physics
|
January 15, 2008
Accuracy of typical approximations in classical models of intermolecular polarization
Pär Söderhjelm, Anders Ohrn, Ulf Ryde, et al.
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of 24
Search research articles
Search
Showing results (101-110 of 240) with videos related to
Sort By:
Page
of 24
The Journal of Chemical Physics
|
May 13, 2006
Implicit versus explicit solvent in free energy calculations of enzyme catalysis: Methyl transfer catalyzed by catechol O-methyltransferase
Thomas H Rod, Patrik Rydberg, Ulf Ryde
Journal of Chemical Theory and Computation
|
May 18, 2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
Casper Steinmann, Martin A Olsson, Ulf Ryde
Journal of the American Chemical Society
|
March 17, 2010
Quantum refinement of [FeFe] hydrogenase indicates a dithiomethylamine ligand
Ulf Ryde, Claudio Greco, Luca De Gioia
Journal of Biomolecular NMR
|
March 18, 2005
NMR structure determination of proteins supplemented by quantum chemical calculations: detailed structure of the Ca2+ sites in the EGF34 fragment of protein S
Ya-Wen Hsiao, Torbjörn Drakenberg, Ulf Ryde
International Journal of Biological Macromolecules
|
March 7, 2026
QM/MM study of the catalytic reaction of potato epoxide hydrolase
Maryam Haji Dehabadi, Ulf Ryde, Mehdi Irani
Journal of the American Chemical Society
|
July 30, 2025
Understanding Anomalous Cage-Escape Dynamics in Photoredox Processes Driven by a Fe(III) N-Heterocyclic Carbene Complex
Iria Bolaño Losada, Ulf Ryde, Petter Persson
The Journal of Physical Chemistry. A
|
February 7, 2024
Scalar Relativistic All-Electron and Pseudopotential <i>Ab Initio</i> Study of a Minimal Nitrogenase [Fe(SH)<sub>4</sub>H]<sup>-</sup> Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Acta Crystallographica. Section D, Structural Biology
|
October 6, 2020
Automated orientation of water molecules in neutron crystallographic structures of proteins
Axl Eriksson, Octav Caldararu, Ulf Ryde, et al.
The Journal of Physical Chemistry. B
|
June 4, 2015
Catalytic Cycle of Multicopper Oxidases Studied by Combined Quantum- and Molecular-Mechanical Free-Energy Perturbation Methods
Jilai Li, Maryam Farrokhnia, Lubomír Rulíšek, et al.
The Journal of Chemical Physics
|
January 15, 2008
Accuracy of typical approximations in classical models of intermolecular polarization
Pär Söderhjelm, Anders Ohrn, Ulf Ryde, et al.
Page
of 24