Dataset for the article "Cost-effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments"

  • Peter Reinholdt (Creator)
  • Erik Rosendahl Kjellgren (Creator)
  • Casper Steinmann (Creator)
  • Jógvan Magnus Haugaard Olsen (Creator)

Dataset

Description

This dataset contains additional material related to the article: "Cost-effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments". Final version of the article is available at https://doi.org/10.1021/acs.jctc.9b00616 (paywall). A preprint is freely available at https://doi.org/10.26434/chemrxiv.8126912. See <em>readme.md</em> for further description.
Date made available2019
PublisherZenodo

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