Computational Chemistry

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2021
Mark Confinement-induced fluid-fluid phase transitions in simple fluid mixtures, under bulk supra-critical conditions
Haddadi, Sara ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2021) In Fluid Phase Equilibria 540.
- Contribution to journal › Article
Mark Structural transitions at electrodes, immersed in simple ionic liquid models
Lu, Hongduo ^LU ; Stenberg, Samuel ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2021) In Soft Matter 17(14). p.3876-3885
- Contribution to journal › Article
Mark Entropy–Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C
Wallerstein, Johan ^LU ; Ekberg, Vilhelm ^LU ; Misini Ignjatović, Majda ^LU ; Kumar, Rohit ^LU ; Caldararu, Octav ^LU ; Peterson, Kristoffer ^LU ; Wernersson, Sven ^LU ; Brath, Ulrika ^LU ; Leffler, Hakon ^LU and Oksanen, Esko ^LU , et al. (2021) In Journal of the American Chemical Society 1(4). p.484-500
- 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 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 Photofunctionality of iron(III) N-heterocyclic carbenes and related d⁵ transition metal complexes
Chábera, Pavel ^LU ; Lindh, Linnea ^LU ; Rosemann, Nils W. ^LU ; Prakash, Om ^LU ; Uhlig, Jens ^LU ; Yartsev, Arkady ^LU ; Wärnmark, Kenneth ^LU ; Sundström, Villy ^LU and Persson, Petter ^LU (2021) In Coordination Chemistry Reviews 426.
- Contribution to journal › Scientific review
Mark Exploring ligand dynamics in protein crystal structures with ensemble refinement
Caldararu, Octav ^LU ; Ekberg, Vilhelm ^LU ; Logan, Derek T. ^LU ; Oksanen, Esko ^LU and Ryde, Ulf ^LU (2021) In Acta Crystallographica Section D: Structural Biology 77. p.1099-1115
- Contribution to journal › Article
Mark Modelling Biomolecular Interactions of Protein Solutions : Combining Theories and Experiments
Polimeni, Marco ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Mark On the Thermodynamic Solvation of Biomolecules in Solution
Hervö Hansen, Stefan ^LU (2021)
- Thesis › Doctoral thesis (compilation)

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