Simulation

Molecular Dynamics Simulation

Production-grade MD in explicit solvent: system building, equilibration, long production runs and a complete analysis suite covering RMSD, RMSF, Rg, SASA, hydrogen bonding, PCA and free-energy landscapes.

5 (301 reviews)5-21 daysFrom $399

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What you receive

  • Full trajectory files (xtc/dcd)
  • RMSD, RMSF, Rg, SASA, H-bond plots
  • PCA & free-energy landscape
  • MM-PBSA binding free energy
  • Complete methods section

Software stack

  • GROMACS
  • AMBER
  • CHARMM-GUI
  • VMD

Typical turnaround

5-21 days from protocol sign-off.

Research requirements

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Input files