Molecular Modelling and Dynamics

Molecular modeling involves the theoretic and process procedures that are accustomed mimic the behaviour of macromolecules. Molecular modelling techniques are utilized in varied fields a number of that are drug style, processchemistry, materials science and process biology. 

  • Steered molecular dynamics (SMD)
  • Hybrid QM/MM
  • Potentials in ab-initio methods

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