Published August 28, 2022 | Version v1
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Reciprocal barrier restraint. Application to path-meta-eABF

Authors/Creators

  • 1. Roivant Sciences

Description

Job files to run the path-meta-eABF simulation of opening and closing the full CRL-VHL-degrader-SMARCA2 ring complex in the following publication https://doi.org/10.1101/2022.08.27.505552 "A Different Kind of Restraint Suitable for Molecular Dynamics Simulations."

Files

CRL-VHL-degrader-SMARCA2-ring-closure-path-meta-eabf.zip

Files (20.2 MB)