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2014
Mark Empirical valence bond simulations of the hydride transfer step in the monoamine oxidase B catalyzed metabolism of dopamine
Repič, Matej ; Vianello, Robert ; Purg, Miha ; Duarte, Fernanda ; Bauer, Paul ; Kamerlin, Shina C L ^LU and Mavri, Janez (2014) In Proteins 82(12). p.55-3347
- Contribution to journal › Article
2013
Mark Modeling catalytic promiscuity in the alkaline phosphatase superfamily
Duarte, Fernanda ; Amrein, Beat Anton and Kamerlin, Shina Caroline Lynn ^LU (2013) In Physical chemistry chemical physics : PCCP 15(27). p.77-11160
- Contribution to journal › Article
2012
Mark Computational protein engineering : bridging the gap between rational design and laboratory evolution
Barrozo, Alexandre ; Borstnar, Rok ; Marloie, Gaël and Kamerlin, Shina Caroline Lynn ^LU (2012) In International Journal of Molecular Sciences 13(10). p.60-12428
- Contribution to journal › Scientific review
2011
Mark Cofactor mobility determines reaction outcome in the IMPDH and GMPR (β-α)₈ barrel enzymes
Patton, Gregory C ; Stenmark, Pål ^LU ; Gollapalli, Deviprasad R ; Sevastik, Robin ; Kursula, Petri ; Flodin, Susanne ; Schuler, Herwig ^LU ; Swales, Colin T ; Eklund, Hans and Himo, Fahmi , et al. (2011) In Nature Chemical Biology 7(12). p.8-950
- 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
2009
Mark Field-driven geometrical phases in a time-periodic quantum system
Brusheim, Patrik ^LU and Xu, Hongqi ^LU (2009) In Physical Review B (Condensed Matter and Materials Physics) 79(20).
- Contribution to journal › Article
Mark Cooling a micromechanical resonator to its ground state by measurement and feedback
Bergenfeldt, Christian ^LU and Molmer, Klaus (2009) In Physical Review A (Atomic, Molecular and Optical Physics) 80(4).
- Contribution to journal › Article

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