Overview
Simulations show how molecules move and respond over time, beyond what a static structure can tell.
Salient features
- System building, equilibration and production runs
- Stability, flexibility and interaction analysis
- GPU-accelerated workflows
Analyses we offer
MD Simulations
Runs and analyses molecular dynamics: RMSD, RMSF, hydrogen bonds, energies and free-energy landscapes.
Methods: gromacs, openmm, mdanalysis, lammps.
What you receive
- A written report with methods, parameters and interpretation
- Processed data tables and publication-quality figures
- Scripts and settings so every result can be reproduced
Not sure which analysis fits your data? Contact us and we will advise.