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Journal of Chemical Theory and Computation
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July 24, 2025
Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
Xiaoli Sun, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
April 9, 2020
N<sub>2</sub>H<sub>2</sub> binding to the nitrogenase FeMo cluster studied by QM/MM methods
Lili Cao, Ulf Ryde
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 10, 2022
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand
Hao Jiang, Ulf Ryde
Journal of Computer-Aided Molecular Design
|
September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approach
Jacob Kongsted, Ulf Ryde
Journal of Computational Chemistry
|
July 15, 2009
How to obtain statistically converged MM/GBSA results
Samuel Genheden, Ulf Ryde
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2012
Will molecular dynamics simulations of proteins ever reach equilibrium?
Samuel Genheden, Ulf Ryde
Proteins
|
January 26, 2012
Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
February 1, 2020
What Is the Structure of the E<sub>4</sub> Intermediate in Nitrogenase?
Lili Cao, Ulf Ryde
Journal of Inorganic Biochemistry
|
September 1, 2004
Protonation status of metal-bound ligands can be determined by quantum refinement
Kristina Nilsson, Ulf Ryde
The Journal of Physical Chemistry. B
|
June 15, 2006
Structure of reduced and oxidized manganese superoxide dismutase: a combined computational and experimental approach
Lubomír Rulísek, Ulf Ryde
Page
of 24
Search research articles
Search
Showing results (21-30 of 240) with videos related to
Sort By:
Page
of 24
Journal of Chemical Theory and Computation
|
July 24, 2025
Reproducibility of QM/MM Calculations for the SARS-CoV-2 Main Protease
Xiaoli Sun, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
April 9, 2020
N<sub>2</sub>H<sub>2</sub> binding to the nitrogenase FeMo cluster studied by QM/MM methods
Lili Cao, Ulf Ryde
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 10, 2022
Thermodynamically Favourable States in the Reaction of Nitrogenase without Dissociation of any Sulfide Ligand
Hao Jiang, Ulf Ryde
Journal of Computer-Aided Molecular Design
|
September 11, 2008
An improved method to predict the entropy term with the MM/PBSA approach
Jacob Kongsted, Ulf Ryde
Journal of Computational Chemistry
|
July 15, 2009
How to obtain statistically converged MM/GBSA results
Samuel Genheden, Ulf Ryde
Physical Chemistry Chemical Physics : PCCP
|
May 23, 2012
Will molecular dynamics simulations of proteins ever reach equilibrium?
Samuel Genheden, Ulf Ryde
Proteins
|
January 26, 2012
Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
February 1, 2020
What Is the Structure of the E<sub>4</sub> Intermediate in Nitrogenase?
Lili Cao, Ulf Ryde
Journal of Inorganic Biochemistry
|
September 1, 2004
Protonation status of metal-bound ligands can be determined by quantum refinement
Kristina Nilsson, Ulf Ryde
The Journal of Physical Chemistry. B
|
June 15, 2006
Structure of reduced and oxidized manganese superoxide dismutase: a combined computational and experimental approach
Lubomír Rulísek, Ulf Ryde
Page
of 24