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- 2018
-
Mark
Challenges and advances in the computational modeling of biological phosphate hydrolysis
Petrović, Dušan ; Szeler, Klaudia and Kamerlin, Shina Caroline Lynn LU
(2018)
In Chemical Communications
54(25).
p.3077-3089
- Contribution to journal › Scientific review
- 2016
-
Mark
Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase
Purg, Miha ; Pabis, Anna ; Baier, Florian ; Tokuriki, Nobuhiko ; Jackson, Colin and Kamerlin, Shina Caroline Lynn LU
(2016)
In Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Science
374(2080).
- Contribution to journal › Article
- 2015
-
Mark
Resolving apparent conflicts between theoretical and experimental models of phosphate monoester hydrolysis
Duarte, Fernanda ; Åqvist, Johan ; Williams, Nicholas H and Kamerlin, Shina C L LU
(2015)
In Journal of the American Chemical Society
137(3).
p.93-1081
- Contribution to journal › Article
- 2011
-
Mark
The effect of leaving group on mechanistic preference in phosphate monoester hydrolysis
Kamerlin, Shina C L LU
and Wilkie, John
(2011)
In Organic and Biomolecular Chemistry
9(15).
p.406-5394
- Contribution to journal › Article
- 2008
-
Mark
On the interpretation of the observed linear free energy relationship in phosphate hydrolysis : a thorough computational study of phosphate diester hydrolysis in solution
- Contribution to journal › Article