Lynn Kamerlin

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2012
Mark Computational Study of the pK_a Values of Potential Catalytic Residues in the Active Site of Monoamine Oxidase B
Borštnar, Rok ; Repič, Matej ; Kamerlin, Shina Caroline Lynn ^LU ; Vianello, Robert and Mavri, Janez (2012) In Journal of Chemical Theory and Computation 8(10). p.70-3864
- Contribution to journal › Article
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
2011
Mark Theoretical comparison of p-nitrophenyl phosphate and sulfate hydrolysis in aqueous solution : implications for enzyme-catalyzed sulfuryl transfer
Kamerlin, Shina Caroline Lynn ^LU (2011) In The Journal of Organic Chemistry 76(22). p.38-9228
- Contribution to journal › Article
Mark Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
Adamczyk, Andrew J ; Cao, Jie ; Kamerlin, Shina C L ^LU and Warshel, Arieh (2011) In Proceedings of the National Academy of Sciences of the United States of America 108(34). p.20-14115
- Contribution to journal › Article
Mark Paradynamics : an effective and reliable model for ab initio QM/MM free-energy calculations and related tasks
Plotnikov, Nikolay V ; Kamerlin, Shina C L ^LU and Warshel, Arieh (2011) In The Journal of Physical Chemistry Part B 115(24). p.62-7950
- Contribution to journal › Article
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
Mark Multiscale modeling of biological functions
Kamerlin, Shina Caroline Lynn ^LU and Warshel, Arieh (2011) In Physical chemistry chemical physics : PCCP 13(22). p.11-10401
- Contribution to journal › Scientific review
Mark Coarse-grained (multiscale) simulations in studies of biophysical and chemical systems
Kamerlin, Shina C L ^LU ; Vicatos, Spyridon ; Dryga, Anatoly and Warshel, Arieh (2011) In Annual Review of Physical Chemistry 62. p.41-64
- Contribution to journal › Scientific review
2010
Mark Ketosteroid isomerase provides further support for the idea that enzymes work by electrostatic preorganization
Kamerlin, Shina C L ^LU ; Sharma, Pankaz K ; Chu, Zhen T and Warshel, Arieh (2010) In Proceedings of the National Academy of Sciences of the United States of America 107(9). p.80-4075
- Contribution to journal › Article