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Dalton Transactions (Cambridge, England : 2003)
|
February 3, 2007
Accurate metal-site structures in proteins obtained by combining experimental data and quantum chemistry
Ulf Ryde
Current Opinion in Chemical Biology
|
January 28, 2003
Combined quantum and molecular mechanics calculations on metalloproteins
Ulf Ryde
Journal of Chemical Theory and Computation
|
October 13, 2017
How Many Conformations Need To Be Sampled To Obtain Converged QM/MM Energies? The Curse of Exponential Averaging
Ulf Ryde
Journal of Chemical Theory and Computation
|
July 13, 2021
On the Use of Interaction Entropy and Related Methods to Estimate Binding Entropies
Vilhelm Ekberg, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
February 18, 2003
The importance of porphyrin distortions for the ferrochelatase reaction
Emma Sigfridsson, Ulf Ryde
Journal of Computational Chemistry
|
December 7, 2010
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulations
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 25, 2015
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System Truncation
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 26, 2015
Comparison of Methods to Obtain Force-Field Parameters for Metal Sites
LiHong Hu, Ulf Ryde
Physical Chemistry Chemical Physics : PCCP
|
July 17, 2012
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations
Jimmy Heimdal, Ulf Ryde
Journal of Inorganic Biochemistry
|
July 18, 2002
Theoretical study of the discrimination between O(2) and CO by myoglobin
Emma Sigfridsson, Ulf Ryde
Page
of 24
Search research articles
Search
Showing results (1-10 of 240) with videos related to
Sort By:
Page
of 24
Dalton Transactions (Cambridge, England : 2003)
|
February 3, 2007
Accurate metal-site structures in proteins obtained by combining experimental data and quantum chemistry
Ulf Ryde
Current Opinion in Chemical Biology
|
January 28, 2003
Combined quantum and molecular mechanics calculations on metalloproteins
Ulf Ryde
Journal of Chemical Theory and Computation
|
October 13, 2017
How Many Conformations Need To Be Sampled To Obtain Converged QM/MM Energies? The Curse of Exponential Averaging
Ulf Ryde
Journal of Chemical Theory and Computation
|
July 13, 2021
On the Use of Interaction Entropy and Related Methods to Estimate Binding Entropies
Vilhelm Ekberg, Ulf Ryde
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
February 18, 2003
The importance of porphyrin distortions for the ferrochelatase reaction
Emma Sigfridsson, Ulf Ryde
Journal of Computational Chemistry
|
December 7, 2010
A comparison of different initialization protocols to obtain statistically independent molecular dynamics simulations
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 25, 2015
Improving the Efficiency of Protein-Ligand Binding Free-Energy Calculations by System Truncation
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
November 26, 2015
Comparison of Methods to Obtain Force-Field Parameters for Metal Sites
LiHong Hu, Ulf Ryde
Physical Chemistry Chemical Physics : PCCP
|
July 17, 2012
Convergence of QM/MM free-energy perturbations based on molecular-mechanics or semiempirical simulations
Jimmy Heimdal, Ulf Ryde
Journal of Inorganic Biochemistry
|
July 18, 2002
Theoretical study of the discrimination between O(2) and CO by myoglobin
Emma Sigfridsson, Ulf Ryde
Page
of 24