A Multiscale Workflow for Modelling Ligand Complexes of Zinc Metalloproteins

  • Zongfan Yang (Creator)
  • Rebecca Twidale (Creator)
  • Adrian J Mulholland (Creator)
  • Silvia Gervasoni (Contributor)
  • Reynier Suardíaz (Contributor)
  • Charlie Colenso (Contributor)
  • Eric Lang (Contributor)
  • Jim Spencer (Contributor)



Representative MD trajectories, topologies and input files for the protein:ligand complexes presented in the paper Yang et al. J Chem. Inf. Model. 2021.
Date made available21 Oct 2021
PublisherUniversity of Bristol

Cite this