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- 2021
-
Mark
Can the results of quantum refinement be improved with a continuum-solvation model?
Bergmann, Justin LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2021)
In Acta Crystallographica. Section B: Structural Science
77(6).
p.906-918
- Contribution to journal › Article
- 2020
-
Mark
N2H2 binding to the nitrogenase FeMo cluster studied by QM/MM methods
- Contribution to journal › Article
-
Mark
Influence of tryptophan mutation on the direct electron transfer of immobilized tobacco peroxidase
- Contribution to journal › Article
-
Mark
Phosphorylation of a Disordered Peptide - Structural Effects and Force Field Inconsistencies
Rieloff, Ellen LU and Skepö, Marie LU
(2020)
In Journal of Chemical Theory and Computation
16(3).
p.1924-1935
- Contribution to journal › Article
-
Mark
Coarse-Grained Modelling of Protein Adsorption
(2020)
- Thesis › Doctoral thesis (compilation)
-
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
- Contribution to journal › Article
-
Mark
Unifying viscous and inertial regimes of discontinuous shear thickening suspensions
- Contribution to journal › Article
-
Mark
Interactions in aqueous salt solutions : Atomistic modelling versus experiment
(2020)
- Thesis › Licentiate thesis
-
Mark
Design and synthesis of photoactive iron n-heterocyclic carbene complexes
- Contribution to journal › Scientific review
-
Mark
Is density functional theory accurate for lytic polysaccharide monooxygenase enzymes
Larsson, Ernst D. LU ; Dong, Geng LU ; Veryazov, Valera LU
; Ryde, Ulf
LU
and Hedegård, Erik D.
LU
(2020)
In Dalton Transactions
49(5).
p.1501-1512
- Contribution to journal › Article