Molecular Dynamics Simulation Service

Molecular dynamics (MD) is a computer simulation method for analyzing the physical movements of atoms and molecules.  The method is applied mostly in chemical physics, materials science, and biophysics.

Force Field for MD

Force field describes the interactions in/between moleculars in molecular dynamics simulations. We can obtain acurate force field for users.

Binding Free Energy

Predicting the binding free energy of ligands to macromolecules can have great practical values in drugs discovery. We rovide one-stop service to finish this prediction.

Bio-related Simulation

Polysaccharide molecular docking, molecular surface calculation, biological enzyme catalysis calculation, protein interaction analysis, transmembrane transport mechanism calculation, etc.

Instructions for Ordering

  • Discuss one by one according to the system and properties you need to calculate.
  • In order to better get the results you expect, please describe the system and intermediate process you need to calculate in detail (may be conjecture), and provide relevant literature.
  • Inquiry for Computational Chemistry Service, Please Send Message to Our Consultant.

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