Computational Chemistry

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2021
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
Mark Hybrids between Rubus idaeus and Rubus sect. Corylifolii and their relation to R. pruinosus and R. rosanthus
Ryde, Ulf ^LU ; Montes, Melanie S. ; Zhou, Mingyue ; Mattsson, Tore ; Burén, Tomas and Hedrén, Mikael ^LU (2021) In Nordic Journal of Botany 39(8).
- Contribution to journal › Article
Mark Coarse-grained and atomistic modelling of phosphorylated intrinsically disordered proteins
Rieloff, Ellen ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Mark Oxygen chemistry of halogen-doped CeO₂(111)
Wolf, Matthew J. ; Larsson, Ernst D. ^LU and Hermansson, Kersti (2021) In Physical Chemistry Chemical Physics 23(35). p.19375-19385
- Contribution to journal › Article
Mark Molecular dynamics simulations of phosphorylated intrinsically disordered proteins : A force field comparison
Rieloff, Ellen ^LU and Skepö, Marie ^LU (2021) In International Journal of Molecular Sciences 22(18).
- Contribution to journal › Article
Mark Comparison of the accuracy of DFT methods for reactions with relevance to nitrogenase
Torbjörnsson, Magne ^LU and Ryde, Ulf ^LU (2021) In Electronic Structure 3(3).
- 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 The effect of multisite phosphorylation on the conformational properties of intrinsically disordered proteins
Rieloff, Ellen ^LU and Skepö, Marie ^LU (2021) In International Journal of Molecular Sciences 22(20).
- 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

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