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Octav Caldararu

Showing results (1-10 of 24) with videos related to

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The Journal of Physical Chemistry. B|August 8, 2017
Protonation States of Homocitrate and Nearby Residues in Nitrogenase Studied by Computational Methods and Quantum RefinementLili Cao, Octav Caldararu, Ulf Ryde
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 refinementLili Cao, Octav Caldararu, Ulf Ryde
Journal of Chemical Theory and Computation|October 26, 2018
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) CalculationsLili Cao, Octav Caldararu, Ulf Ryde
Acta Crystallographica. Section D, Structural Biology|October 6, 2020
Automated orientation of water molecules in neutron crystallographic structures of proteinsAxl Eriksson, Octav Caldararu, Ulf Ryde, et al.
BMC Bioinformatics|February 26, 2021
A base measure of precision for protein stability predictors: structural sensitivityOctav Caldararu, Tom L Blundell, Kasper P Kepp
Journal of Chemical Information and Modeling|April 13, 2021
Three Simple Properties Explain Protein Stability Change upon MutationOctav Caldararu, Tom L Blundell, Kasper P Kepp
Angewandte Chemie (International Ed. in English)|November 23, 2017
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane MonooxygenaseLili Cao, Octav Caldararu, Amy C Rosenzweig, et al.
RSC Advances|May 2, 2022
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structuresOctav Caldararu, Majda Misini Ignjatović, Esko Oksanen, et al.
Chemical Science|February 13, 2019
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenaseOctav Caldararu, Esko Oksanen, Ulf Ryde, et al.
Journal of Chemical Information and Modeling|August 14, 2020
Systematic Investigation of the Data Set Dependency of Protein Stability PredictorsOctav Caldararu, Rukmankesh Mehra, Tom L Blundell, et al.
Pageof 3

Showing results (1-10 of 24) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. B|August 8, 2017
Protonation States of Homocitrate and Nearby Residues in Nitrogenase Studied by Computational Methods and Quantum RefinementLili Cao, Octav Caldararu, Ulf Ryde
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 refinementLili Cao, Octav Caldararu, Ulf Ryde
Journal of Chemical Theory and Computation|October 26, 2018
Protonation and Reduction of the FeMo Cluster in Nitrogenase Studied by Quantum Mechanics/Molecular Mechanics (QM/MM) CalculationsLili Cao, Octav Caldararu, Ulf Ryde
Acta Crystallographica. Section D, Structural Biology|October 6, 2020
Automated orientation of water molecules in neutron crystallographic structures of proteinsAxl Eriksson, Octav Caldararu, Ulf Ryde, et al.
BMC Bioinformatics|February 26, 2021
A base measure of precision for protein stability predictors: structural sensitivityOctav Caldararu, Tom L Blundell, Kasper P Kepp
Journal of Chemical Information and Modeling|April 13, 2021
Three Simple Properties Explain Protein Stability Change upon MutationOctav Caldararu, Tom L Blundell, Kasper P Kepp
Angewandte Chemie (International Ed. in English)|November 23, 2017
Quantum Refinement Does Not Support Dinuclear Copper Sites in Crystal Structures of Particulate Methane MonooxygenaseLili Cao, Octav Caldararu, Amy C Rosenzweig, et al.
RSC Advances|May 2, 2022
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structuresOctav Caldararu, Majda Misini Ignjatović, Esko Oksanen, et al.
Chemical Science|February 13, 2019
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenaseOctav Caldararu, Esko Oksanen, Ulf Ryde, et al.
Journal of Chemical Information and Modeling|August 14, 2020
Systematic Investigation of the Data Set Dependency of Protein Stability PredictorsOctav Caldararu, Rukmankesh Mehra, Tom L Blundell, et al.
Pageof 3