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Our group is interested in both methodology developments and practical applications.

In terms of methodology, the main areas are:

  • Force-field development
  • Representation of electrostatic interactions
  • Enhanced-sampling methods
  • Free-energy calculation methods
  • Algorithm development and implementation

In terms of applications, the main systems are:

  • Organic molecules
  • Ionic solvation
  • Carbohydrates (main focus)
  • Lipids (second main focus)
  • Peptides and proteins
  • Nucleic acids

More information can be found in our scientific publications

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Tue Jul 25 00:29:53 CEST 2017
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