Molecular dynamics (MD) simulation plays a key role in the field of computer-aided drug design (CADD).

Our MD service utilizes Schrödinger's Desmond to perform precise simulations, analyzing the interactions of proteins and molecules under set conditions.

MD simulation results are provided in a detailed report.

• Protein-Ligand RMSD

  

• Ligand-Protein Contacts

  

• Protein-Ligand Contacts

  

• Ligand Torsion Profile