Published June 19, 2019
| Version v3
Dataset
Open
Dataset for the article "Cost-effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments"
Creators
- 1. Department of Physics, Chemistry and Pharmacy, University of Southern Denmark
- 2. Department of Chemistry and Bioscience, Aalborg University
- 3. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway
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 readme.md for further description.
Files
C1C2.csv
Files
(2.1 GB)
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md5:a3d3dacf40afca1c5d32bef01726ab8a
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3.7 kB | Preview Download |
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md5:bd167099c55860493ae69944169d0692
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913.3 kB | Preview Download |
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md5:10a858b204dff7899ae1ec8ad983634d
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3.0 kB | Preview Download |
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md5:e87b1f45f6d6e28976a0962b3e934e00
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2.1 GB | Preview Download |
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md5:3d9d7c4d1aa0eaea68b0411fd30c80c3
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3.1 kB | Preview Download |
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md5:fbb6ce60e4747e6213d9b288d405ccdd
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528 Bytes | Preview Download |
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md5:374e2218c29127a4325d80358fed194c
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6.0 kB | Preview Download |
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md5:4ffa391a56b0171c48ffebeaf9100e0d
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654 Bytes | Preview Download |
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md5:aed16f99802e6281bd43ca84e022fe3f
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1.0 kB | Preview Download |