cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.16482450
title: Structure-Guided Engineering of a Multifunctional Glycosidase for Exclusive High-Yield Production of Ginsenoside F1 from Panax notoginseng - Simulation files

description: This dataset contains the molecular docking and molecular dynamics (MD) simulation data generated for the study entitled "Structure-Guided Engineering of a Multifunctional Glycosidase for Exclusive High-Yield Production of Ginsenoside F1 from Panax notoginseng". The simulations investigate the binding dynamics and conformational changes of the wild-type (WT) β-glucosidase BgDU (glycoside hydrolase family 3, GH3) and its DUase mutant in complex with substrates NG-R1 and G-Rg1 over 50-nanosecond (ns) production runs. Four independent simulations were performed:

1.WT enzyme + NG-R1 substrate

2.WT enzyme + G-Rg1 substrate

3.DUase mutant + NG-R1 substrate

4.DUase mutant + G-Rg1 substrate

 

The data is organized into four main folders for clarity:

1.Docking Structure:

Contains coordinate files in PDB format derived from computational modeling and database sources for molecular docking. Specifically, the wild-type β-glucosidase BgDU and DUase mutant structures were predicted using AlphaFold3; the NG-R1 and G-Rg1 substrate structures were extracted from the PubChem Compound Database; and the docked complexes were generated by molecular docking between these protein and ligand structures. These files serve as the starting points for subsequent molecular dynamics simulations.

2.MD Structure:

Contains coordinate files in PDB format sampled at key time points during the 50 ns production runs. Files represent snapshots at 0 ns, 10 ns, 20 ns, 30 ns, 40 ns, and 50 ns for each simulated system.

3.Topology:

Contains topology files (*.itp) defining the force field parameters specific to the substrates NG-R1 and G-Rg1. This includes RESP2 atomic charges derived using Multiwfn and GROMACS-compatible ITP files generated by sobtop that integrate RESP2 charges.

4.MDP:

Contains all molecular dynamics parameter (*.mdp) files used to control the simulation protocol within GROMACS.
DOI: 10.15468/dl.gx8wdy
title: Occurrence Download

description: A dataset containing 3455 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Elaeagnus pungens",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 3455 records from 57 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054602-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ukthz8
title: Occurrence Download

description: A dataset containing 2837 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cyornis glaucicomans)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 2837 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054603-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gn9ys2
title: Occurrence Download

description: A dataset containing 268 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Elaeagnus angustifolia",
 "Country is Slovakia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 268 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054604-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7k34p3
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ipomoea cairica",
 "Country is Zimbabwe",
 "HasCoordinate is true"
 ]
}

 The dataset includes 31 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054605-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.16482753
title: INFFLOW-RT IIoT Dataset: Risk-Tagged Smart Grid Transactions for Adaptive Information Flow Control

description: This dataset supports the evaluation of the INFFLOW-RT methodology, a real-time, adaptive approach to information flow control in Industrial Internet of Things (IIoT) environments. It includes over 4,000 enriched transactions derived from eight real-world smart grid business processes. Each transaction is modeled as part of a directed graph and annotated with key attributes such as severity, operation type, legality, and dynamically computed risk scores. The dataset enables risk-weighted centrality analysis, multi-order dependency chain exploration, and Bayesian inference-based risk propagation modeling. It is the first publicly described dataset to combine access control, information flow analysis, and dynamic risk estimation in IIoT infrastructures.
DOI: 10.5281/zenodo.16482754
title: INFFLOW-RT IIoT Dataset: Risk-Tagged Smart Grid Transactions for Adaptive Information Flow Control

description: This dataset supports the evaluation of the INFFLOW-RT methodology, a real-time, adaptive approach to information flow control in Industrial Internet of Things (IIoT) environments. It includes over 4,000 enriched transactions derived from eight real-world smart grid business processes. Each transaction is modeled as part of a directed graph and annotated with key attributes such as severity, operation type, legality, and dynamically computed risk scores. The dataset enables risk-weighted centrality analysis, multi-order dependency chain exploration, and Bayesian inference-based risk propagation modeling. It is the first publicly described dataset to combine access control, information flow analysis, and dynamic risk estimation in IIoT infrastructures.
DOI: 10.15468/dl.f77sd9
title: Occurrence Download

description: A dataset containing 485 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cyornis magnirostris)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 485 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054607-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7h82j4
title: Occurrence Download

description: A dataset containing 26 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Parlatoria ziziphi"
 ]
}

 The dataset includes 26 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054606-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6wb2tz
title: Occurrence Download

description: A dataset containing 217 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex confertus",
 "Country is Belarus",
 "HasCoordinate is true"
 ]
}

 The dataset includes 217 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054608-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c8puv8
title: Occurrence Download

description: A dataset containing 360 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex confertus",
 "Country is Estonia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 360 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054609-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hmv2ft
title: Occurrence Download

description: A dataset containing 17178 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cyornis rubeculoides)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 17178 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054610-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.undymd
title: Occurrence Download

description: A dataset containing 2179 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Elaeagnus angustifolia",
 "Country is Spain",
 "HasCoordinate is true"
 ]
}

 The dataset includes 2179 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054611-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wqav4a
title: Occurrence Download

description: A dataset containing 4033 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Fatoua villosa",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4033 records from 85 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054612-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bztbex
title: Occurrence Download

description: A dataset containing 25 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Allygus atomarius",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 25 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054614-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rmq986
title: Occurrence Download

description: A dataset containing 913 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Otiorhynchus tenebricosus",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 913 records from 115 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054615-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fbkq74
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Stictocardia beraviensis",
 "Country is Botswana",
 "HasCoordinate is true"
 ]
}

 The dataset includes 6 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054616-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hqpkw2
title: Occurrence Download

description: A dataset containing 97 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Elaeagnus angustifolia",
 "Country is Sweden",
 "HasCoordinate is true"
 ]
}

 The dataset includes 97 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054617-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.crvrh6
title: Occurrence Download

description: A dataset containing 7316 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cyornis unicolor)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 7316 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054618-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h2r8qf
title: Occurrence Download

description: A dataset containing 37 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex confertus",
 "Country is Latvia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 37 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054619-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ruuyj7
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rumex confertus",
 "Country is Lithuania",
 "HasCoordinate is true"
 ]
}

 The dataset includes 72 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054620-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rvh7eq
title: Occurrence Download

description: A dataset containing 290411 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Juncus bufonius"
 ]
}

 The dataset includes 290411 records from 2098 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0054497-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tchh2v
title: Occurrence Download

description: A dataset containing 54 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mentzelia ravenii"
 ]
}

 The dataset includes 54 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009122-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5286/isis.e.rb2510233-1
title: Radiobiological measurements with epithermal neutrons for Boron Neutron Capture Therapy treatment planning

description: Boron neutron capture therapy (BNCT) is an experimental form of radiotherapy based on the combined effect of the uptake of a 10B-containing compound and the irradiation with low-energy neutrons. This therapy is currently expanding widely by means of compact accelerator neutron sources that can be installed in hospitals. These new facilities will produce epithermal beams for the therapy. This energy range is required to allow neutrons to penetrate the body and reach the tumour once thermalized. The relative biological effectiveness (a key factor for treatment planning) of neutrons in this energy range is not well known, and it is currently extrapolated from thermal or fast neutrons. The measurements proposed in this project pursue obtaining radiobiological data for both tumour and normal cells using epithermal neutrons and compare to the results of studies using other neutron energy ranges at other facilities.
DOI: 10.60712/si-id398742.2
title: StrainInfo SI-ID 398742.2

description: StrainInfo dataset 398742 about a strain of Micromonospora fluostatini. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398744.2
title: StrainInfo SI-ID 398744.2

description: StrainInfo dataset 398744 about a strain of Sphaerotilus montanus. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398745.2
title: StrainInfo SI-ID 398745.2

description: StrainInfo dataset 398745 about a strain of Castellaniella daejeonensis. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398746.2
title: StrainInfo SI-ID 398746.2

description: StrainInfo dataset 398746 about a strain of Arthrobacter cupressi. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398747.2
title: StrainInfo SI-ID 398747.2

description: StrainInfo dataset 398747 about a strain of Desulforadius tongensis. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398750.2
title: StrainInfo SI-ID 398750.2

description: StrainInfo dataset 398750 about a strain of Methanocaldococcus bathoardescens. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398753.2
title: StrainInfo SI-ID 398753.2

description: StrainInfo dataset 398753 about a strain of Rhizobium mongolense subsp. loessense. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398754.2
title: StrainInfo SI-ID 398754.2

description: StrainInfo dataset 398754 about a strain of Streptomyces klenkii. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398756.2
title: StrainInfo SI-ID 398756.2

description: StrainInfo dataset 398756 about a strain of Niabella soli. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398757.2
title: StrainInfo SI-ID 398757.2

description: StrainInfo dataset 398757 about a strain of Leucobacter japonicus. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398758.2
title: StrainInfo SI-ID 398758.2

description: StrainInfo dataset 398758 about a strain of Usitatibacter. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id398761.2
title: StrainInfo SI-ID 398761.2

description: StrainInfo dataset 398761 about a strain of Rivihabitans pingtungensis. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.15468/dl.cqecfm
title: Occurrence Download

description: A dataset containing 30510120 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Observation, Machine Observation, Human Observation, Occurrence evidence)",
 "Continent is Europe",
 "CoordinateUncertaintyInMeters 0.0-1000.0",
 "OccurrenceStatus is Present",
 "TaxonKey is Lepidoptera",
 "Year 1980-2024"
 ]
}

 The dataset includes 30510120 records from 1824 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0086577-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.1i03ji
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001644-160803222355964/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4jbhmu
title: Occurrence Download

description: A dataset containing 301310992 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Plantae"
 ]
}

 The dataset includes 301310992 records from 7156 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0068175-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.9gw3zf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Solenogastres)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((60 -60,90 -60,90 -30,60 -30,60 -60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011880-251009101135966/datasets/export for details.
DOI: 10.15468/dl.9jnjtg
title: Occurrence Download

description: A dataset containing 11686 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cephalopoda)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-120 30,-90 30,-90 60,-120 60,-120 30))"
 ]
}

 The dataset includes 11686 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011881-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fkvekh
title: Occurrence Download

description: A dataset containing 6398 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cephalopoda)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((-180 30,-150 30,-150 60,-180 60,-180 30))"
 ]
}

 The dataset includes 6398 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011878-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.