Published May 7, 2020
| Version 1.0
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Umbrella simulation data of designed cyclic peptide as MDM2 binders
Description
Umbrella simulation data of designed cyclic peptide as MDM2 binders.
Pulling simulation: start from bound MDM2/ligand to pull the ligand out
Pushing simulation: start from unbound ligand to push it bind to MDM2
Details of umbrella simulation parameters can be found in simulation set-up folders.