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I got my Master Degree in Mathematical Modelling and Computation at the DTU in February 2016. I carried out my MSc Research Project at the CBL in collaboration with Prof. Peter Røgen (DTU Compute). I have a solid background in mathematical modelling and programming applied to molecular modelling of biomolecules. At CBL, I contribute to develop method for refinement of protein structural models in the twilight zone using atomistic force fields. CBL members are currently testing the method on availab
le experimental structures and we will soon apply it to structurally unknown cancer-related proteins under experimental investigation at the DCRC in the Units of Cell Stress and Survival and Cell Death and Metabolism. I also developed a suite of tools based on a python wrapper for Gromacs [1] to automatise preparation and analyses of molecular dynamics simulations. The tools will be soon freely available on our group page on Github. Feel free to contact us if you want to use them meanwhile.
[1] Gromacs Wrapper - Oliver Beckstein -http://github.com/orbeckst/GromacsWrapper
Poster Presentation at Conferences
24th November 2015, 3rd Danish Protein Molecular Modellers Meeting, University of Copenhagen (DK) Bergstrand Poulsen S, Røgen P, Papaleo E, GromacsWrapper set up for Molecular Dynamics Simulations.
1st December 2015, 14th Protein.DTU Workshop - Future Trends in Protein Science, DTU, Lyngby (DK) Bergstrand Poulsen S, Røgen P, Papaleo E, MD-Coevol refinement of homology models - Gromacs Wrapper.
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