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2020
Mark Quantum refinement with multiple conformations : Application to the P-cluster in nitrogenase
Cao, Lili ^LU and Ryde, Ulf ^LU (2020) In Acta Crystallographica Section D: Structural Biology 76. p.1145-1156
- Contribution to journal › Article
2019
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
- Contribution to journal › Article
Mark How Will the Emerging Plurality of Lives Change? : How We Conceive of and Relate to Life?
Persson, Erik ^LU ; Abbott, Jessica ^LU ; Balkenius, Christian ^LU ; Cabak Rédei, Anna ^LU ; Capova, Klara Anna ^LU ; Dravins, Dainis ^LU ; Dunér, David ^LU ; Gunneflo, Markus ^LU ; Hedlund, Maria ^LU and Johansson, Mats ^LU , et al. (2019) In Challenges
- Contribution to journal › Article
Mark Trapping of Gas Bubbles in Water at a Finite Distance below a Water-Solid Interface
Esteso, V. ; Carretero-Palacios, S. ; Thiyam, P. ^LU ; Míguez, H. ; Parsons, D. F. ; Brevik, I. and Boström, M. (2019) In Langmuir 35(12). p.4218-4223
- Contribution to journal › Article
Mark Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics Simulations
Wang, Meiting ; Mei, Ye and Ryde, Ulf ^LU (2019) In Journal of Chemical Theory and Computation 15(4). p.2659-2671
- Contribution to journal › Article
Mark A thiocarbonate sink on the enzymatic energy landscape of aerobic CO oxidation? Answers from DFT and QM/MM models of Mo–Cu CO-dehydrogenases
Rovaletti, Anna ; Bruschi, Maurizio ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf ^LU and Greco, Claudio ^LU (2019) In Journal of Catalysis p.201-205
- Contribution to journal › Article
Mark Assessing self-association of intrinsically disordered proteins by coarse-grained simulations and SAXS
Rieloff, Ellen ^LU (2019)
- Thesis › Licentiate thesis
Mark Theoretical studies of protein-ligand binding
Misini Ignjatovic, Majda ^LU (2019)
- Thesis › Doctoral thesis (compilation)
Mark Many-body effects in a binary nano-particle mixture dispersed in ideal polymer solutions
Nguyen, Huy S. ; Forsman, Jan ^LU and Woodward, Clifford E. (2019) In Journal of Chemical Physics 150(4).
- Contribution to journal › Article
Mark Extremely large differences in DFT energies for nitrogenase models
Cao, Lili ^LU and Ryde, Ulf ^LU (2019) In Physical Chemistry Chemical Physics 21(5). p.2480-2488
- Contribution to journal › Article

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