Molecular mechanics - it is simple

Molecular mechanics - it is simple

What can we simulate in this way?

Liquids
- Water properties
- Hydrocarbons
- Polar solvents
- Mixtures
Biomolecules
- DNA
- Proteins
  - Problem of protein folding
- Lipids
- Ligands
  - DNA interaction with a benzimidazole-containing ligands
  - Selection of linkers for the DNA-bindig ligand
All together
- Protein in the lipid bilayer
Tips and tricks

Technology

Soft
- Abalone
- MDynaMix
Hard
- Processors
- Clusters
- GPU

This can be interestingly