Computational Chemistry
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- 2021
-
Mark
Neutron structures of Leishmania mexicana triosephosphate isomerase in complex with reaction-intermediate mimics shed light on the proton-shuttling steps
Kelpšas, Vinardas LU ; Caldararu, Octav LU ; Blakeley, Matthew P. ; Coquelle, Nicolas ; Wierenga, Rikkert K. ; Ryde, Ulf LU
; von Wachenfeldt, Claes
LU
and Oksanen, Esko
LU
(2021)
In IUCrJ
8(Pt 4).
p.633-643
- Contribution to journal › Article
-
Mark
Norske bjørnebær 6. Sørlandsbjørnebær Rubus ”firmus”
Arnstein Lye, Kåre and Ryde, Ulf LU
(2021)
In Blyttia: norsk botanisk forenings tidsskrift
79(1).
p.39-45
- Contribution to journal › Article
-
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
-
Mark
Orientational arrest in dense suspensions of elliptical particles under oscillatory shear flows
- Contribution to journal › Article
-
Mark
Direct Evidence for Reaction between Cellulose and CO2from Nuclear Magnetic Resonance
Gunnarsson, Maria LU ; Bernin, Diana ; Hasani, Merima ; Lund, Mikael LU
and Bialik, Erik
LU
(2021)
In ACS Sustainable Chemistry and Engineering
9(42).
p.14006-14011
- Contribution to journal › Article
-
Mark
Charge Regulation during Amyloid Formation of α-Synuclein
Pálmadóttir, Tinna LU ; Malmendal, Anders LU ; Leiding, Thom LU ; Lund, Mikael LU
and Linse, Sara
LU
(2021)
In Journal of the American Chemical Society
143(20).
p.7777-7791
- Contribution to journal › Article
-
Mark
Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins
(2021)
- Thesis › Doctoral thesis (compilation)
-
Mark
Resonant X-ray photo-oxidation of light-harvesting iron (II/III) N-heterocyclic carbene complexes
Temperton, Robert H. LU ; Guo, Meiyuan LU ; D’Acunto, Giulio LU ; Johansson, Niclas LU ; Rosemann, Nils W. LU ; Prakash, Om LU ; Wärnmark, Kenneth LU ; Schnadt, Joachim LU
; Uhlig, Jens
LU
and Persson, Petter
LU
(2021)
In Scientific Reports
11(1).
- Contribution to journal › Article
-
Mark
From Attraction to Repulsion to Attraction: Non-Monotonic Temperature Dependence of Polymer-Mediated Interactions in Colloidal Dispersions
- Contribution to journal › Article
-
Mark
Force Field Effects in Simulations of Flexible Peptides with Varying Polyproline II Propensity
Jephthah, Stephanie LU ; Pesce, Francesco ; Lindorff-Larsen, Kresten and Skepö, Marie LU
(2021)
In Journal of Chemical Theory and Computation
17(10).
p.6634-6646
- Contribution to journal › Article