Yasmin Binti Shamsudin
- Visiting address:
- Husargatan 3
752 37 Uppsala
- Postal address:
- Box 576
My research aims to understand the structure-function and dynamics of proteins and the molecular mechanisms of catalysis in and inhibition of enzymes. By combining physics-based theoretical models with molecular modeling and computer simulations in modern high-performance computers, we can create models for making predictions. By combining simulations with experiments, new insights are obtained that can be used to develop the next generation of rationally designed drugs and molecular tools.
Keywords: antibiotics enzyme inhibitors molecular dynamics molecular modelling enzyme catalysis antibacterial inhibitors electric fields free energy calculations protein engineering
In my research, I combine various modelling, simulation, and computational methods to understand the underlying mechanisms regulating binding, inhibition, and catalysis in enzymes. I am also interested in protein engineering and engineering of artificial enzymes.
I am interested in a variety of biological systems, and I have been fortunate to work with several ones in various projects, including
- NSAID selectivity and binding in cyclooxygenases (COX) 1 and 2
- engineering green fluorescence proteins (GFP)
- antibiotics and beta-lactamases
- catalysis in liver alcohol dehydrogenase (LADH
- inhibition of insulin-regulated aminopeptidases (IRAP)
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