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Supplementary Underlying Data For "Evaluating Parameterization Protocols For Hydration Free Energy Calculations With The Amoeba Polarizable Force Field"

Supplementary Underlying Data For "Evaluating Parameterization Protocols For Hydration Free Energy Calculations With The Amoeba Polarizable Force Field"
Supplementary Underlying Data For "Evaluating Parameterization Protocols For Hydration Free Energy Calculations With The Amoeba Polarizable Force Field"
This dataset includes additional underlying data for the publication "Evaluating parameterization protocols for hydration free energy calculations with the AMOEBA polarizable force field" Contents: Tukey Honest Significant Difference (HSD) results for solutes 1-47 across all seven parameter sets, as *.txt. These are pairwise comparisons of results between all possible parameter sets. Significant differences are treated as p < 0.05.
Zenodo
Bradshaw, Richard
5e37ccd1-f8a8-4eec-a205-d68b57a877f3
Essex, Jonathan
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Bradshaw, Richard
5e37ccd1-f8a8-4eec-a205-d68b57a877f3
Essex, Jonathan
1f409cfe-6ba4-42e2-a0ab-a931826314b5

Bradshaw, Richard and Essex, Jonathan (2016) Supplementary Underlying Data For "Evaluating Parameterization Protocols For Hydration Free Energy Calculations With The Amoeba Polarizable Force Field". Zenodo doi:10.5281/zenodo.54959 [Dataset]

Record type: Dataset

Abstract

This dataset includes additional underlying data for the publication "Evaluating parameterization protocols for hydration free energy calculations with the AMOEBA polarizable force field" Contents: Tukey Honest Significant Difference (HSD) results for solutes 1-47 across all seven parameter sets, as *.txt. These are pairwise comparisons of results between all possible parameter sets. Significant differences are treated as p < 0.05.

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More information

Published date: 2016
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Identifiers

Local EPrints ID: 434483
URI: http://eprints.soton.ac.uk/id/eprint/434483
DOI: doi:10.5281/zenodo.54959
PURE UUID: 64a8359d-5982-406c-9256-a24c5034dedd
ORCID for Richard Bradshaw: ORCID iD orcid.org/0000-0002-8652-4301
ORCID for Jonathan Essex: ORCID iD orcid.org/0000-0003-2639-2746

Catalogue record

Date deposited: 24 Sep 2019 16:31
Last modified: 06 May 2023 01:34

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Contributors

Creator: Richard Bradshaw ORCID iD
Creator: Jonathan Essex ORCID iD

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