Molecular
Pre-configured workflows for simulating molecular behavior and interactions
Molecular dynamics tools for studying the physical movement of atoms and molecules — protein dynamics, drug interactions, and material properties at the atomic scale.
This category covers:
- Biomolecular simulations — protein and nucleic acid dynamics
- Materials science — classical MD for materials and polymers
- Free energy calculations — binding affinity and thermodynamics
- Enhanced sampling — metadynamics and replica exchange
- Trajectory analysis — post-simulation analysis and visualization
Browse the workflows below. To deploy one, see How it works.