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2024
Mark QM/MM Studies of Nitrogenase
Jiang, Hao ^LU (2024)
- Thesis › Doctoral thesis (compilation)
2021
Mark Methodology for developing reduced reaction mechanisms, and their use in combustion simulations
Zettervall, Niklas ^LU (2021)
- Thesis › Doctoral thesis (compilation)
Mark Surface-Catalyzed Secondary Nucleation Dominates the Generation of Toxic IAPP Aggregates
Rodriguez Camargo, Diana C. ; Chia, Sean ; Menzies, Joseph ; Mannini, Benedetta ; Meisl, Georg ; Lundqvist, Martin ^LU ; Pohl, Christin ^LU ; Bernfur, Katja ^LU ; Lattanzi, Veronica ^LU and Habchi, Johnny , et al. (2021) In Frontiers in Molecular Biosciences 8.
- Contribution to journal › Article
2020
Mark Ethene/nitrous oxide mixtures as green propellant to substitute hydrazine : Reaction mechanism validation
Naumann, Clemens ; Kick, Thomas ; Methling, Torsten ^LU ; Braun-Unkhoff, Marina and Riedel, Uwe (2020) In International Journal of Energetic Materials and Chemical Propulsion 19(1). p.65-71
- Contribution to journal › Article
2018
Mark Insight into the reaction mechanism of lipoyl synthase : a QM/MM study
Dong, Geng ^LU ; Cao, Lili ^LU and Ryde, Ulf ^LU (2018) In Journal of Biological Inorganic Chemistry 23(2). p.221-229
- Contribution to journal › Article
Mark Kinetics and mechanism for reduction of Pt(IV) anticancer model compounds by Se-methyl L-selenocysteine. Comparison with L-selenomethionine.
Liu, Chunli ; Xu, Liyao ; Tian, Hongwu ; Yao, Haiping ; Elding, Lars Ivar ^LU and Shi, Tiesheng (2018) In Journal of Molecular Liquids 2018(271). p.838-843
- Contribution to journal › Article
Mark Reaction mechanism of metalloenzymes studied by theoretical methods
Dong, Geng ^LU (2018)
- Thesis › Doctoral thesis (compilation)
2017
Mark Kinetics and mechanism of oxidation of the anti-tubercular prodrug isoniazid and its analog by iridium(IV) as models for biological redox systems
Dong, Jingran ; Ren, Yanli ; Sun, Sufang ; Yang, Jiao ; Nan, Chunixa ; Shi, Hongmei ; Xu, Jianzhong ; Duan, Jie ; Shi, Tiesheng and Elding, Lars Ivar ^LU (2017) In Dalton Transactions 46(26). p.8377-8386
- Contribution to journal › Article
Mark Targeting the reactive intermediate in polysaccharide monooxygenases
Hedegård, Erik ^LU and Ryde, Ulf ^LU (2017) In Journal of Biological Inorganic Chemistry
- Contribution to journal › Article
Mark Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Hedegård, Erik ^LU and Ryde, Ulf ^LU (2017) In ACS Omega 2. p.536-545
- Contribution to journal › Article

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