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Article ID: 301 - Last Modified: May 9, 2011

How can I automate binding site MD with a truncated protein?

The Python script solvate_binding_site.py creates an output cms file that contains the truncated protein with solvent in a periodic box. After running this script, you can import it into the Desmond GUI and set up simulation variables.

Keywords: Desmond, MD, truncated protein

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