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

Main Authors: Reinholdt, Peter, Kjellgren, Erik Rosendahl, Steinmann, Casper, Olsen, Jógvan Magnus Haugaard
Format: info dataset Journal
Terbitan: , 2019
Subjects:
QM
MM
Online Access: https://zenodo.org/record/3553833
Daftar Isi:
  • 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 readme.md for further description.