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ZENODO
Dataset . 2020
License: CC BY
Data sources: Datacite
image/svg+xml art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos Open Access logo, converted into svg, designed by PLoS. This version with transparent background. http://commons.wikimedia.org/wiki/File:Open_Access_logo_PLoS_white.svg art designer at PLoS, modified by Wikipedia users Nina, Beao, JakobVoss, and AnonMoos http://www.plos.org/
ZENODO
Dataset . 2020
License: CC BY
Data sources: ZENODO
Claim

Data set for evaluation of Python scripts for computation of Protein-Ligand Interaction Fingerprints

Research datakeyboard_double_arrow_right Dataset 16 Apr 2020Publisher:ZenodoFunded by:EC | HBP SGA2
Authors: Daria Kokh;

doi: 10.5281/zenodo.3754465

Data set for evaluation of Python scripts for computation of Protein-Ligand Interaction Fingerprints

Abstract

2YKI - protein-ligand complex , PDB ID 2YKI - 2yki_MOE.pdb complex with hydrogen added and energy minimized using MOE software (https://www.chemcomp.com/) - ligand_2yki_MOE.mol2 and ligand_2yki_MOE.pdb - ligand structure with hydrogens prepered by MOE software (https://www.chemcomp.com/) 6EI5 - MD trajectory of the protein-ligand complex generated from PDB ID 6EI5 - ref-min.pdb minimized structure - ref.prmtop topology file - moe.mol2 - ligand structure in mol2 format - amber2namd2.dcd generated MD trajectory

Keywords

protein-ligand interaction fingerprint

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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!
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