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Journal of Chemical Theory and Computation
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November 27, 2015
Conformational Dependence of Isotropic Polarizabilities
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Inorganic Chemistry
|
December 14, 2020
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Chemical Information and Modeling
|
January 31, 2025
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Meiting Wang, Hao Jiang, Ulf Ryde
Scientific Reports
|
July 4, 2023
Two local minima for structures of [4Fe-4S] clusters obtained with density functional theory methods
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Computational Chemistry
|
August 18, 2015
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model
Samuel Genheden, Ulf Ryde, Pär Söderhjelm
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 29, 2020
Does the crystal structure of vanadium nitrogenase contain a reaction intermediate? Evidence from quantum refinement
Lili Cao, Octav Caldararu, Ulf Ryde
The Journal of Chemical Physics
|
July 11, 2006
Comparison of overlap-based models for approximating the exchange-repulsion energy
Pär Söderhjelm, Gunnar Karlström, Ulf Ryde
Journal of Chemical Information and Modeling
|
March 23, 2011
Binding affinities of factor Xa inhibitors estimated by thermodynamic integration and MM/GBSA
Samuel Genheden, Ingemar Nilsson, Ulf Ryde
Journal of Chemical Theory and Computation
|
December 4, 2015
Sulfoxide, Sulfur, and Nitrogen Oxidation and Dealkylation by Cytochrome P450
Patrik Rydberg, Ulf Ryde, Lars Olsen
Journal of Chemical Theory and Computation
|
December 1, 2015
Ligand Affinities Estimated by Quantum Chemical Calculations
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Page
of 24
Search research articles
Search
Showing results (81-90 of 240) with videos related to
Sort By:
Page
of 24
Journal of Chemical Theory and Computation
|
November 27, 2015
Conformational Dependence of Isotropic Polarizabilities
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Inorganic Chemistry
|
December 14, 2020
Two-Substrate Glyoxalase I Mechanism: A Quantum Mechanics/Molecular Mechanics Study
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Chemical Information and Modeling
|
January 31, 2025
Impact of Varying Velocities and Solvation Boxes on Alchemical Free-Energy Simulations
Meiting Wang, Hao Jiang, Ulf Ryde
Scientific Reports
|
July 4, 2023
Two local minima for structures of [4Fe-4S] clusters obtained with density functional theory methods
Sonia Jafari, Ulf Ryde, Mehdi Irani
Journal of Computational Chemistry
|
August 18, 2015
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model
Samuel Genheden, Ulf Ryde, Pär Söderhjelm
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
August 29, 2020
Does the crystal structure of vanadium nitrogenase contain a reaction intermediate? Evidence from quantum refinement
Lili Cao, Octav Caldararu, Ulf Ryde
The Journal of Chemical Physics
|
July 11, 2006
Comparison of overlap-based models for approximating the exchange-repulsion energy
Pär Söderhjelm, Gunnar Karlström, Ulf Ryde
Journal of Chemical Information and Modeling
|
March 23, 2011
Binding affinities of factor Xa inhibitors estimated by thermodynamic integration and MM/GBSA
Samuel Genheden, Ingemar Nilsson, Ulf Ryde
Journal of Chemical Theory and Computation
|
December 4, 2015
Sulfoxide, Sulfur, and Nitrogen Oxidation and Dealkylation by Cytochrome P450
Patrik Rydberg, Ulf Ryde, Lars Olsen
Journal of Chemical Theory and Computation
|
December 1, 2015
Ligand Affinities Estimated by Quantum Chemical Calculations
Pär Söderhjelm, Jacob Kongsted, Ulf Ryde
Page
of 24