cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25549/independent-c69-28946
title: 6.1. Hubert Williams materials (2 of 3), 1987-11-18

description: "Review of administrative processes of the Tampa police department" Washington, DC: Police Foundation, 1987 November 18. 6.1. Hubert Williams materials (2 of 3), 1987 November 18. PART OF A SERIES: The series pertains to the work of Munger, Tolles & Olson, the firm responsible for coordinating the activities and proceedings of the Independent Commission's legal counsel. Included are legal briefs, court transcripts, and memoranda; press releases and article clippings about the Rodney King incident and the subsequent creation of the Independent Commission; summaries of witness interviews; analyses of legislation regarding the role and purview of peace officers; work plans and outlines developed by Commission staff; draft copies developed for all sections of the Commission report; supplemental materials for the report, including a copy of the Rodney King arrest log, law enforcement literature, and public opinion surveys; materials distributed and reviewed during Commission meetings; letters of interest submitted to Chairman Christopher from prospective Commission members and organizations; and lists of bills and Commission expenditures.
DOI: 10.15468/dl.kup82w
title: Occurrence Download

description: A dataset containing 4718 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sphagneticola trilobata (L.) Pruski"
 ]
}

 The dataset includes 4718 records from 189 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002726-171025204727650/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.g8ps3p
title: Occurrence Download

description: A dataset containing 179427 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Biodiversidad asociada al Estudio de Impacto Ambiental del proyecto: Interconexión Cuestecitas - Copey - Fundación 500/220 mil voltios"
 ]
}

 The dataset includes 179427 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020176-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4emzay
title: Occurrence Download

description: A dataset containing 181714 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Marine benthic dataset (version 1) commissioned by UKOOA"
 ]
}

 The dataset includes 181714 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020174-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.21227/ngq6-yj85
title: CO2 Emissions Insights: Visualising the Top 25 Global Emitters

description: CO2 Emissions Data Visualization Project – I Hug TreesThe I Hug Trees CO2 emissions project is a data-driven initiative that visualizes global carbon footprints using interactive treemaps and bar charts. The dataset, sourced from UN Data, contains CO2 emissions figures for the top 25 highest-emitting countries, extracted from a larger global dataset. This structured CSV dataset categorizes emissions by country, industry, and energy source, enabling comparative analysis and trend identification. Built with D3.js, the platform provides an intuitive interface for researchers, policymakers, and environmental advocates. Future plans include AI-driven predictive modeling and open APIs to enhance accessibility and collaboration for climate action.
DOI: 10.25904/1912/4102
title: Sacred Ibis debate: The first test of evolution

description: This data is a comparison study into the "Sacred Ibis debate"; which predates the so-called "Great Debate" between Cuvier and Geoffroy Saint-Hilaire and the publication of Darwin's On the Origin of Species five decades later. Cuvier's views and his study had a profound influence on the scientific and public perception of evolution, setting back the acceptance of evolutionary theory in Europe for decades.
DOI: 10.15468/dl.rmhut2
title: Occurrence Download

description: A dataset containing 1323 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Tragopan temminckii (J.E.Gray, 1831)"
 ]
}

 The dataset includes 1323 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001875-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zhw6w9
title: Occurrence Download

description: A dataset containing 12146 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ceriops tagal (Perr.) C.B.Rob.",
 "Year 2000-2025"
 ]
}

 The dataset includes 12146 records from 52 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001876-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.14894051
title: Paryavaran sanrakshan hetu Adhyatmik mulyon ka shikshan Samay ki mang
DOI: 10.5281/zenodo.14894052
title: Paryavaran sanrakshan hetu Adhyatmik mulyon ka shikshan Samay ki mang
DOI: 10.15468/dl.r7ursz
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-19.32321 26.49709,-13.3064 25.57143,-10.99224 29.04266,-19.09179 31.81965,-19.32321 26.49709))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Cymodocea nodosa (Ucria) Asch."
 ]
}

 The dataset includes 61 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001877-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4yt4mv
title: Occurrence Download

description: A dataset containing 32197985 species occurrences available in GBIF matching the query:
{
 "Country" : [
 "is Costa Rica"
 ]
}

 The dataset includes 32197985 records from 1761 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001859-250218110819086/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rygjn8
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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 90,60 90,60 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048318-250920141307145/datasets/export for details.
DOI: 10.15468/dl.7uay2g
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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((-30 -90,0 -90,0 -60,-30 -60,-30 -90))"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048319-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kwwpnv
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Merremia hederacea",
 "Country is Micronesia (Federated States of)",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048320-250920141307145/datasets/export for details.
DOI: 10.26023/1zzh-6qc4-4f00
title: IHOP_2002: DLR Falcon Navigation Parameter Imagery. Version 1.0

description: This dataset includes imagery of the Falcon navigation parameters during the IHOP_2002 field project. This includes color maps of flight patterns, pressure altitude and height above sea level plots, and 3-D plots of the Falcon flight track.
DOI: 10.15468/dl.phrhnj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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((30 60,60 60,60 90,30 90,30 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048323-250920141307145/datasets/export for details.
DOI: 10.15468/dl.jjfj2a
title: Occurrence Download

description: A dataset containing 15 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Merremia hederacea",
 "Country is Japan",
 "HasCoordinate is true"
 ]
}

 The dataset includes 15 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048321-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xx9h7b
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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((0 -90,30 -90,30 -60,0 -60,0 -90))"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048322-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ssdqqw
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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((0 60,30 60,30 90,0 90,0 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048324-250920141307145/datasets/export for details.
DOI: 10.15468/dl.vcfdx7
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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((30 -90,60 -90,60 -60,30 -60,30 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048325-250920141307145/datasets/export for details.
DOI: 10.15468/dl.2e4bgg
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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((-30 60,0 60,0 90,-30 90,-30 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048326-250920141307145/datasets/export for details.
DOI: 10.15468/dl.sqmhhh
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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 -90,90 -90,90 -60,60 -60,60 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048327-250920141307145/datasets/export for details.
DOI: 10.15468/dl.csy4wu
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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,-30 60,-30 90,-60 90,-60 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048328-250920141307145/datasets/export for details.
DOI: 10.15468/dl.d43md9
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poecilia mexicana",
 "Country is Fiji",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048329-250920141307145/datasets/export for details.
DOI: 10.26023/xqv9-vpqj-5p0e
title: IHOP_2002: DLR Falcon Wind Parameter Imagery. Version 1.0

description: This dataset includes imagery of wind measurements taken aboard the Falcon during the IHOP_2002 project. This includes wind vector plots, wind speed and direction during ascent and descent, and horizontal windspeed and direction during flight time.
DOI: 10.15468/dl.hs92aj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poecilia mexicana",
 "Country is India",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048330-250920141307145/datasets/export for details.
DOI: 10.15468/dl.fwz3pv
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poecilia mexicana",
 "Country is Samoa",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048331-250920141307145/datasets/export for details.
DOI: 10.15468/dl.umvh37
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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((90 -90,120 -90,120 -60,90 -60,90 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048332-250920141307145/datasets/export for details.
DOI: 10.15468/dl.7qbhyg
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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((-90 60,-60 60,-60 90,-90 90,-90 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048333-250920141307145/datasets/export for details.
DOI: 10.15468/dl.sb6852
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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 -90,150 -90,150 -60,120 -60,120 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048334-250920141307145/datasets/export for details.
DOI: 10.15468/dl.kd4pjf
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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 60,-90 60,-90 90,-120 90,-120 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048335-250920141307145/datasets/export for details.
DOI: 10.15468/dl.krhzzh
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dasyuromorphia)",
 "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((150 -90,180 -90,180 -60,150 -60,150 -90))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048336-250920141307145/datasets/export for details.
DOI: 10.26023/znbv-na18-rh09
title: IHOP_2002: FMCW S-band Data. Version 1.0

description: The University of Massachusetts FM-CW radar was deployed at IHOP 2002 to provide verification information of wave structures within and atop the ABL. This vertically pointing, high resolution (2.5 m range resolution) radar has shown its capability in discerning small scale wave motions like internal gravity waves and Kelvin-helmholtz waves. The radar was operated almost continuously from 13 May to 13 June. The radar was located at the "Auxilliary site" approximately 20 km east of the NCAR S-Pol radar site in the Oklahoma panhandle.
DOI: 10.15468/dl.c346wc
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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((-150 60,-120 60,-120 90,-150 90,-150 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048337-250920141307145/datasets/export for details.
DOI: 10.15468/dl.3vbsme
title: Occurrence Download

description: A dataset containing 150 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Poecilia mexicana",
 "Country is United States of America",
 "HasCoordinate is true"
 ]
}

 The dataset includes 150 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048338-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rr6u26
title: Occurrence Download

description: A dataset containing 30324 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (USA.33.3_1, USA.33.24_1, USA.33.42_1, USA.33.32_1, USA.33.44_1)",
 "OccurrenceStatus is Present",
 "TaxonKey is one of (Apidae, Colletidae, Halictidae, Megachilidae, Melittidae, Andrenidae)"
 ]
}

 The dataset includes 30324 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048339-250920141307145/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7t35nn
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Notoryctemorphia)",
 "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 60,-150 60,-150 90,-180 90,-180 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048341-250920141307145/datasets/export for details.
DOI: 10.15468/dl.qk6hf8
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dermoptera)",
 "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 60,-150 60,-150 90,-180 90,-180 60))"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0048340-250920141307145/datasets/export for details.
DOI: 10.5281/zenodo.17247434
title: Carba-NAD binding activates SIR2 by reshaping confo-rmational plasticity and rewiring long-range allosteric networks

description: 数据集描述:本数据集包含SIR2蛋白在三种状态下的分子动力学(MD)模拟数据:CNA结合、未结合和NAD结合。每个系统进行三次独立的重复模拟。由于Zenodo平台文件大小限制,轨迹文件(.xtc格式)被拆分为11个部分,文件名从.part000到.part010编号。

数据集内容





CNA结合系统







cna-bound1.xtc.part000 – cna-bound1.xtc.part010




cna-bound2.xtc.part000 – cna-bound2.xtc.part010




cna-bound3.xtc.part000 – cna-bound3.xtc.part010







未绑定系统







unbound1.xtc.part000 – unbound1.xtc.part010




unbound2.xtc.part000 – unbound2.xtc.part010




unbound3.xtc.part000 – unbound3.xtc.part010







NAD结合系统







NAD-bound1.xtc.part000 – NAD-bound1.xtc.part010




NAD-bound2.xtc.part000 – NAD-bound2.xtc.part010




NAD-bound3.xtc.part000 – NAD-bound3.xtc.part010



实用脚本





merge_xtc.py:用于从分割的轨迹部分重建完整的 .xtc 文件的 Python 脚本。



轨迹重建下载给定模拟的所有 11 个部分后,可以使用以下任一方法重建完整轨迹:





方法 1:Linux/macOS 终端命令



cat cna-bound1.xtc.part0* > CNA-bound1.xtc






方法 2:使用 Python 脚本



python merge_xtc.py


脚本会自动检测当前目录中名为.part000–.part010的文件,并将它们合并成完整的轨迹。

模拟参数





模拟软件:GROMACS 2022.5




力场:CHARMM36




系统:CNA结合、未结合和NAD结合状态下的SIR2蛋白




模拟长度:每次重复 3 μs




条件:300 K,1 bar



重要提示





每个轨迹文件分为 11 个部分(.part000–.part010)。




重建之前,确保所有部分都位于同一目录中。




重建的 .xtc 文件与 GROMACS、MDAnalysis 和 VMD 完全兼容,以便进行进一步的分析和可视化。



附加内容





NRI 模型代码:该数据集还提供基于图神经网络的神经关系推理 (NRI)模型代码。该模型旨在用于残基网络分析和信号转导通路识别。代码包含数据预处理、模型训练和结果可视化模块,可直接应用于基于分子动力学轨迹的残基相互作用网络。




小分子对接代码:本软件还包含用于小分子虚拟筛选和对接分析的代码。它能够快速评估候选分子与 SIR2 口袋的结合情况。该工作流程基于 AutoDock Vina 和相关的 Python 脚本,支持批量对接、亲和力评分和结果过滤,以促进基于结构的药物设计。



引用在您的研究中使用此数据集和相关代码时,请引用相应的 Zenodo DOI。