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2018
Mark Many-body interactions between charged particles in a polymer solution : the protein regime
Wang, Haiqiang ; Forsman, Jan ^LU and Woodward, Clifford E (2018) In Soft Matter 14(20). p.4064-4073
- Contribution to journal › Article
Mark The evolution of multiple active site configurations in a designed enzyme
Hong, Nan-Sook ; Petrović, Dušan ; Lee, Richmond ; Gryn'ova, Ganna ; Purg, Miha ; Saunders, Jake ; Bauer, Paul ; Carr, Paul D ; Lin, Ching-Yeh and Mabbitt, Peter D , et al. (2018) In Nature Communications 9(1).
- Contribution to journal › Article
Mark Amyloid-β Peptide Interactions with Amphiphilic Surfactants : Electrostatic and Hydrophobic Effects
Österlund, Nicklas ; Kulkarni, Yashraj S ; Misiaszek, Agata D ; Wallin, Cecilia ; Krüger, Dennis M ; Liao, Qinghua ; Mashayekhy Rad, Farshid ; Jarvet, Jüri ; Strodel, Birgit and Wärmländer, Sebastian K T S , et al. (2018) In ACS Chemical Neuroscience 9(7). p.1680-1692
- Contribution to journal › Article
Mark Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase
Barrozo, Alexandre ; Liao, Qinghua ; Esguerra, Mauricio ; Marloie, Gaël ; Florián, Jan ; Williams, Nicholas H and Kamerlin, Shina Caroline Lynn ^LU (2018) In Organic and Biomolecular Chemistry 16(12). p.2060-2073
- Contribution to journal › Article
2017
Mark Similar Active Sites and Mechanisms Do Not Lead to Cross-Promiscuity in Organophosphate Hydrolysis : Implications for Biotherapeutic Engineering
Purg, Miha ; Elias, Mikael and Kamerlin, Shina Caroline Lynn ^LU (2017) In Journal of the American Chemical Society 139(48). p.17533-17546
- Contribution to journal › Article
2016
Mark Promiscuity and electrostatic flexibility in the alkaline phosphatase superfamily
Pabis, Anna and Kamerlin, Shina Caroline Lynn ^LU (2016) In Current Opinion in Structural Biology 37. p.14-21
- Contribution to journal › Scientific review
2015
Mark Cooperative Electrostatic Interactions Drive Functional Evolution in the Alkaline Phosphatase Superfamily
Barrozo, Alexandre ; Duarte, Fernanda ; Bauer, Paul ; Carvalho, Alexandra T P and Kamerlin, Shina C L ^LU (2015) In Journal of the American Chemical Society 137(28). p.76-9061
- Contribution to journal › Article
2014
Mark Force field independent metal parameters using a nonbonded dummy model
Duarte, Fernanda ; Bauer, Paul ; Barrozo, Alexandre ; Amrein, Beat Anton ; Purg, Miha ; Åqvist, Johan and Kamerlin, Shina Caroline Lynn ^LU (2014) In The Journal of Physical Chemistry Part B 118(16). p.62-4351
- Contribution to journal › Article
2012
Mark Catalytic promiscuity in Pseudomonas aeruginosa arylsulfatase as an example of chemistry-driven protein evolution
Luo, Jinghui ; van Loo, Bert and Kamerlin, Shina C L ^LU (2012) In FEBS Letters 586(11). p.30-1622
- Contribution to journal › Article
Mark Examining the promiscuous phosphatase activity of Pseudomonas aeruginosa arylsulfatase : a comparison to analogous phosphatases
Luo, Jinghui ; van Loo, Bert and Kamerlin, S C L ^LU (2012) In Proteins 80(4). p.26-1211
- Contribution to journal › Article

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