Protein-Ligand Interaction Simulation with Desmond

Job ID: 38473762

Budget: $30 – $250 USD

I need a molecular dynamics simulation done using Desmond, focusing on understanding the interaction between phytochemicals and proteins. The primary output of this simulation should be the interaction energy profiles.

Ideal Skills and Experience:
- Proficiency in molecular dynamics simulations, particularly with Desmond
- Deep understanding of protein-ligand interactions
- Experience with the TIP3P water model and OPLS2005 force field
- Ability to interpret and present interaction energy profiles

Please provide your past related work and any relevant experience.
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