FEP for Protein Mutations

This is the FEP module for predicting the enenrgy differences in the mutations of a protein, which usually provides more accurate predictions than the empirical methods. Please upload a protein PDB file and a mutation map txt file for calculations.

Uploaded ligands

Upload PDB file

max. 10MB
user-manual

Choose file

Upload perturb map txt file

Only one TXT file can be uploaded.
user-manual

Choose file

Advanced Options

MD Temperature

MD run time

Force filed

Amber99sb-ildn

Lambda number

16
Submit
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