Esko Oksanen
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- 2021
-
Quantum-refinement studies of the bidentate ligand of V‑nitrogenase and the protonation state of CO-inhibited Mo‑nitrogenase
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2021)
In Journal of Inorganic Biochemistry
219.
Mark
-
Critical evaluation of a crystal structure of nitrogenase with bound N2 ligands
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2021)
In Journal of Biological Inorganic Chemistry
Mark
- 2020
-
Water structure in solution and crystal molecular dynamics simulations compared to protein crystal structures
Caldararu, Octav LU ; Misini Ignjatovic, Majda LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2020)
In RSC Advances
10.
p.8435-8443
Mark
-
FragHAR : Towards ab initio quantum-crystallographic X-ray structure refinement for polypeptides and proteins
Justin, Bergmann LU ; Davidson, Max ; Oksanen, Esko LU ; Ryde, Ulf LU
and Jayatilaka, Dylan
(2020)
In IUCrJ
7(2).
p.158-165
Mark
- Prospects for membrane protein crystals in NMX
-
Automated orientation of water molecules in neutron crystallographic structures of proteins
Eriksson, Axl ; Caldararu, Octav LU ; Ryde, Ulf LU
and Oksanen, Esko
LU
(2020)
In Acta Crystallographica Section D: Structural Biology
76.
p.1025-1032
Mark
- 2019
-
Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data
Caldararu, Octav LU ; Manzoni, Francesco LU ; Oksanen, Esko LU ; Logan, Derek T. LU
and Ryde, Ulf
LU
(2019)
In Acta Crystallographica Section D: Structural Biology
75.
p.368-380
Mark
-
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
Caldararu, Octav LU ; Oksanen, Esko LU ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2019)
In Chemical Science
10(2).
p.576-586
Mark
-
Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding
Verteramo, Maria Luisa LU ; Stenström, Olof LU ; Ignjatović, Majda Misini LU ; Caldararu, Octav LU ; Olsson, Martin A. LU ; Manzoni, Francesco LU ; Leffler, Hakon LU ; Oksanen, Esko LU ; Logan, Derek T. LU
and Nilsson, Ulf J.
LU
, et al.
(2019)
In Journal of the American Chemical Society
141(5).
p.2012-2026
Mark
- 2018
- Membrane-protein crystals for neutron diffraction