Lynn Kamerlin
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- 2018
-
Mark
Amyloid-β Peptide Interactions with Amphiphilic Surfactants : Electrostatic and Hydrophobic Effects
- Contribution to journal › Article
-
Mark
Role of Ligand-Driven Conformational Changes in Enzyme Catalysis : Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase
Kulkarni, Yashraj S ; Liao, Qinghua ; Byléhn, Fabian ; Amyes, Tina L ; Richard, John P and Kamerlin, Shina C L LU
(2018)
In Journal of the American Chemical Society
140(11).
p.3854-3857
- 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
-
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
-
Mark
Cooperativity and flexibility in enzyme evolution
Pabis, Anna ; Risso, Valeria A ; Sanchez-Ruiz, Jose M and Kamerlin, Shina Cl LU
(2018)
In Current Opinion in Structural Biology
48.
p.83-92
- Contribution to journal › Scientific review
- 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