Non-Equilibrium Reaction-Diffusion Self-assembly Simulator (NERDSS)

Run a quick NERDSS simulation from a PDB with multiple chains.

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About NERDSS

What is NERDSS?

NERDSS is a particle-based reaction-diffusion simulator. By modeling proteins as multi-site rigid bodies, NERDSS simulates self-assembly dynamics based on reaction rules and diffusion.

How ionerdss helps

ionerdss simplifies the workflow by preparing NERDSS inputs from PDB files, running simulations, and analyzing results.

Problems?

Please post to the discussion forum or create a GitHub issue to let us know.

Learn more about NERDSS →