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ZENODO
Dataset . 2026
License: CC BY
Data sources: ZENODO
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
ZENODO
Dataset . 2026
License: CC BY
Data sources: Datacite
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Claim

Interaction energies of Direct Factor Xa Inhibitors calculated by MD-FMO method

Research datakeyboard_double_arrow_right Dataset 17 Feb 2026Publisher:Zenodo
Authors: Yoshine, Ryohei; Hirano, Yoshinori; Doi, Hideo; Kitahara, Shun; Akisawa, Kazuki; Okuwaki, Koji; Yamamoto, Eiji; +2 Authors

doi: 10.5281/zenodo.18667404 , 10.5281/zenodo.18667403

Interaction energies of Direct Factor Xa Inhibitors calculated by MD-FMO method

Abstract

The xz-compressed archive contains PDB, log, and ajf files. The CSV file provides details of the inter-residue interactions between each ligand and the protein.

Related Organizations
Keywords

Fragment Molecular Orbital, Dynamically Averaged Interaction Analysis, IFIE, FMO, Factor Xa Inhibitor

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    popularity
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    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average