Lynn Kamerlin
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- 2017
-
Mark
Micelle Maker : An Online Tool for Generating Equilibrated Micelles as Direct Input for Molecular Dynamics Simulations
- Contribution to journal › Article
-
Mark
Simulating the reactions of substituted pyridinio-N-phosphonates with pyridine as a model for biological phosphoryl transfer
Pabis, Anna ; Williams, Nicholas H and Kamerlin, Shina C L LU
(2017)
In Organic and Biomolecular Chemistry
15(35).
p.7308-7316
- Contribution to journal › Article
-
Mark
DNA Polymerase λ Active Site Favors a Mutagenic Mispair between the Enol Form of Deoxyguanosine Triphosphate Substrate and the Keto Form of Thymidine Template : A Free Energy Perturbation Study
Maximoff, Sergey N ; Kamerlin, Shina Caroline Lynn LU
and Florián, Jan
(2017)
In The Journal of Physical Chemistry Part B
121(33).
p.7813-7822
- Contribution to journal › Article
-
Mark
De novo active sites for resurrected Precambrian enzymes
Risso, Valeria A ; Martinez-Rodriguez, Sergio ; Candel, Adela M ; Krüger, Dennis M ; Pantoja-Uceda, David ; Ortega-Muñoz, Mariano ; Santoyo-Gonzalez, Francisco ; Gaucher, Eric A ; Kamerlin, Shina C L LU
and Bruix, Marta
, et al.
(2017)
In Nature Communications
8.
- Contribution to journal › Article
-
Mark
Enzyme Architecture : Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase
Kulkarni, Yashraj S ; Liao, Qinghua ; Petrović, Dušan ; Krüger, Dennis M ; Strodel, Birgit ; Amyes, Tina L ; Richard, John P and Kamerlin, Shina C L LU
(2017)
In Journal of the American Chemical Society
139(30).
p.10514-10525
- Contribution to journal › Article
-
Mark
Capturing the Role of Explicit Solvent in the Dimerization of RuV(bda) Water Oxidation Catalysts
Zhan, Shaoqi ; Mårtensson, Daniel ; Purg, Miha ; Kamerlin, Shina C L LU
and Ahlquist, Mårten S G
(2017)
In Angewandte Chemie (International edition)
56(24).
p.6962-6965
- Contribution to journal › Article
-
Mark
Active Site Hydrophobicity and the Convergent Evolution of Paraoxonase Activity in Structurally Divergent Enzymes : The Case of Serum Paraoxonase 1
Blaha-Nelson, David ; Krüger, Dennis M ; Szeler, Klaudia ; Ben-David, Moshe and Kamerlin, Shina Caroline Lynn LU
(2017)
In Journal of the American Chemical Society
139(3).
p.1155-1167
- Contribution to journal › Article
-
Mark
CADEE : Computer-Aided Directed Evolution of Enzymes
Amrein, Beat Anton ; Steffen-Munsberg, Fabian ; Szeler, Ireneusz ; Purg, Miha ; Kulkarni, Yashraj and Kamerlin, Shina Caroline Lynn LU
(2017)
In IUCrJ
4(Pt 1).
p.50-64
- Contribution to journal › Article
- 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
-
Mark
The Competing Mechanisms of Phosphate Monoester Dianion Hydrolysis
Duarte, Fernanda ; Barrozo, Alexandre ; Åqvist, Johan ; Williams, Nicholas H and Kamerlin, Shina C L LU
(2016)
In Journal of the American Chemical Society
138(33).
p.73-10664
- Contribution to journal › Article