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Alchemy on the supercomputer

Vejleder: Himanshu Khandelia


Several biological functions (signals in nerves, beating of the heart, energy storage, metabolism) depend on the ability of some proteins to distinguish accurately between Na+ and K+ ions. In this project, we will study the molecular mechanisms by which such proteins achieve such remarkable ion selectivity. The idea is to calculate the free energy change of carrying out an alchemical transformation from Sodium to Potassium on a computer. (Funded by Lundbeckfonden)

Institut for Fysik, Kemi og Farmaci Syddansk Universitet

  • Campusvej 55
  • Odense M - DK-5230
  • Telefon: 6550 3520

Sidst opdateret: 23.09.2020