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Journal of Chemical Theory and Computation
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November 25, 2015
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding Energies
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
October 18, 2016
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?
Adam Fouda, Ulf Ryde
Inorganic Chemistry
|
August 14, 2024
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
Hao Jiang, Ulf Ryde
Dalton Transactions (Cambridge, England : 2003)
|
June 20, 2023
N<sub>2</sub> binding to the E<sub>0</sub>-E<sub>4</sub> states of nitrogenase
Hao Jiang, Ulf Ryde
Chemical Reviews
|
April 15, 2016
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
Ulf Ryde, Pär Söderhjelm
Journal of the American Chemical Society
|
November 20, 2003
Quantum chemistry can locally improve protein crystal structures
Ulf Ryde, Kristina Nilsson
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 22, 2005
Reaction mechanism of porphyrin metallation studied by theoretical methods
Yong Shen, Ulf Ryde
Journal of Computational Chemistry
|
September 6, 2008
Conformational dependence of charges in protein simulations
Pär Söderhjelm, Ulf Ryde
Inorganic Chemistry
|
November 6, 2014
Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations
Jilai Li, Ulf Ryde
Inorganic Chemistry
|
November 2, 2016
O<sub>2</sub> Activation in Salicylate 1,2-Dioxygenase: A QM/MM Study Reveals the Role of His162
Geng Dong, Ulf Ryde
Page
of 24
Search research articles
Search
Showing results (31-40 of 240) with videos related to
Sort By:
Page
of 24
Journal of Chemical Theory and Computation
|
November 25, 2015
Comparison of the Efficiency of the LIE and MM/GBSA Methods to Calculate Ligand-Binding Energies
Samuel Genheden, Ulf Ryde
Journal of Chemical Theory and Computation
|
October 18, 2016
Does the DFT Self-Interaction Error Affect Energies Calculated in Proteins with Large QM Systems?
Adam Fouda, Ulf Ryde
Inorganic Chemistry
|
August 14, 2024
Reaction Mechanism for CO Reduction by Mo-Nitrogenase Studied by QM/MM
Hao Jiang, Ulf Ryde
Dalton Transactions (Cambridge, England : 2003)
|
June 20, 2023
N<sub>2</sub> binding to the E<sub>0</sub>-E<sub>4</sub> states of nitrogenase
Hao Jiang, Ulf Ryde
Chemical Reviews
|
April 15, 2016
Ligand-Binding Affinity Estimates Supported by Quantum-Mechanical Methods
Ulf Ryde, Pär Söderhjelm
Journal of the American Chemical Society
|
November 20, 2003
Quantum chemistry can locally improve protein crystal structures
Ulf Ryde, Kristina Nilsson
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 22, 2005
Reaction mechanism of porphyrin metallation studied by theoretical methods
Yong Shen, Ulf Ryde
Journal of Computational Chemistry
|
September 6, 2008
Conformational dependence of charges in protein simulations
Pär Söderhjelm, Ulf Ryde
Inorganic Chemistry
|
November 6, 2014
Comparison of the active-site design of molybdenum oxo-transfer enzymes by quantum mechanical calculations
Jilai Li, Ulf Ryde
Inorganic Chemistry
|
November 2, 2016
O<sub>2</sub> Activation in Salicylate 1,2-Dioxygenase: A QM/MM Study Reveals the Role of His162
Geng Dong, Ulf Ryde
Page
of 24