cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.18302187
title: Psilopogon Phil. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.5281/zenodo.18302188
title: Psilopogon Phil. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.15468/dl.g5x5nu
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((99.137 9.734061000000001, 99.065719 9.728488, 98.996199 9.711907999999999, 98.93016 9.684729000000001, 98.869231 9.647624, 98.81491699999999 9.601509999999999, 98.76855500000001 9.547525, 98.731286 9.487000999999999, 98.704024 9.421431999999999, 98.68743600000001 9.352435, 98.681923 9.28171, 98.68761600000001 9.210998999999999, 98.704367 9.142042999999999, 98.731757 9.076537, 98.769109 9.016092, 98.8155 8.962194999999999, 98.869786 8.916168000000001, 98.930632 8.879142, 98.99654200000001 8.852027, 99.065899 8.835487000000001, 99.137 8.829928000000001, 99.208101 8.835487000000001, 99.277458 8.852027, 99.343368 8.879142, 99.404214 8.916168000000001, 99.4585 8.962194999999999, 99.504891 9.016092, 99.542243 9.076537, 99.569633 9.142042999999999, 99.586384 9.210998999999999, 99.592077 9.28171, 99.586564 9.352435, 99.569976 9.421431999999999, 99.542714 9.487000999999999, 99.50544499999999 9.547525, 99.45908300000001 9.601509999999999, 99.404769 9.647624, 99.34384 9.684729000000001, 99.277801 9.711907999999999, 99.208281 9.728488, 99.137 9.734061000000001))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 31 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020856-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.thnp5t
title: Occurrence Download

description: A dataset containing 59 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Esox lucius",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1860",
 "Year is less than or equal to 1864"
 ]
}

 The dataset includes 59 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020857-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ttv25k
title: Occurrence Download

description: A dataset containing 226 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((110.456 1.843181, 110.385701 1.837613, 110.317134 1.821045, 110.251989 1.793887, 110.19187 1.756806, 110.138259 1.710717, 110.092474 1.656756, 110.055644 1.59625, 110.028675 1.530692, 110.012229 1.461694, 110.006711 1.390957, 110.012255 1.320222, 110.028725 1.25123, 110.055713 1.185681, 110.092556 1.125187, 110.138344 1.071239, 110.191952 1.025163, 110.252058 0.988094, 110.317185 0.960945, 110.385727 0.944383, 110.456 0.938817, 110.526273 0.944383, 110.594815 0.960945, 110.659942 0.988094, 110.720048 1.025163, 110.773656 1.071239, 110.819444 1.125187, 110.856287 1.185681, 110.883275 1.25123, 110.899745 1.320222, 110.905289 1.390957, 110.899771 1.461694, 110.883325 1.530692, 110.856356 1.59625, 110.819526 1.656756, 110.773741 1.710717, 110.72013 1.756806, 110.660011 1.793887, 110.594866 1.821045, 110.526299 1.837613, 110.456 1.843181))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 226 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020858-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34740/kaggle/dsv/14549635
title: Peer-to-Peer Boliviano (BOB) Exchange Data
DOI: 10.5281/zenodo.18302196
title: Psilopogon albiflorus Phil. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.5281/zenodo.18302197
title: Psilopogon albiflorus Phil. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.15468/dl.tf2uxh
title: Occurrence Download

description: A dataset containing 135 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((108.05408 11.96506,108.93336 11.96506,108.93336 12.31662,108.05408 12.31662,108.05408 11.96506))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Poaceae"
 ]
}

 The dataset includes 135 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020859-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18302203
title: Psoralea L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.5281/zenodo.18302204
title: Psoralea L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.7910/dvn/ozpp2s
title: Replication Data for: "Getting on the Grid: A Field Experiment on Bottom-Up Political Pressure and Access to Essential Public Services"

description: Replication data for "Getting on the Grid: A Field Experiment on Bottom-Up Political Pressure and Access to Essential Public Services".
DOI: 10.5281/zenodo.18302139
title: डिजिटल विभाजन और ग्रामीण स्वास्थ्य में कृत्रिम बौद्धिकता की भूमिका एक समाजशास्त्रीय विश्लेषण -  नेमा ओझा

description: यह शोध पत्र भारत के ग्रामीण क्षेत्रों में स्वास्थ्य सेवा वितरण परकृत्रिम बौद्धिकता के दोहरे प्रभाव की गहन समाजशास्त्रीय जाँच प्रस्तुत करता है। द्वितीयक डेटा के विश्लेषण से यह स्पष्ट होता है कि कृत्रिम बौद्धिकता में पारंपरिक बाधाओं जैसे सीमित पहुँच और कुशल चिकित्सा पेशेवरों की कमी को दूर करने की अपार क्षमता है। हालांकि, इस क्षमता का कार्यान्वयन मौजूदा सामाजिक स्तरीकरण और असमानताओं कोडिजिटल विभाजन और कलन विधि पूर्वाग्रह के माध्यम से पुनरू प्रस्तुत कर सकता है। सैद्धांतिक रूपरेखा में, अभिनेता-नेटवर्क सिद्धांत का उपयोग कृत्रिम बौद्धिकता और डेटा को एक सक्रिय गैर-मानव अभिनेता के रूप में समझने के लिए किया गया है, जबकि फूकोवादी आलोचनासत्ता, मानकीकरण, और निगरानी के तंत्रों का विश्लेषण करती है। रिपोर्ट यह निष्कर्ष निकालती है कि केवल प्रौद्योगिकी समाधानों पर निर्भर रहने के बजाय सामाजिक-प्रौद्योगिकी विन्यास को प्राथमिकता देना अनिवार्य है। समता-केंद्रित कृत्रिम बौद्धिकता शासन और        विकेन्द्रीकृत ‘केंद्र एवं परिधि’ मॉडल के माध्यम से ही कृत्रिम बौद्धिकता की क्षमता का पूर्ण और न्यायसंगत लाभ उठाया जा सकता है, जिससे ग्रामीण समुदायों में स्वास्थ्य समता सुनिश्चित हो सके।
DOI: 10.5281/zenodo.18302138
title: डिजिटल विभाजन और ग्रामीण स्वास्थ्य में कृत्रिम बौद्धिकता की भूमिका एक समाजशास्त्रीय विश्लेषण -  नेमा ओझा

description: यह शोध पत्र भारत के ग्रामीण क्षेत्रों में स्वास्थ्य सेवा वितरण परकृत्रिम बौद्धिकता के दोहरे प्रभाव की गहन समाजशास्त्रीय जाँच प्रस्तुत करता है। द्वितीयक डेटा के विश्लेषण से यह स्पष्ट होता है कि कृत्रिम बौद्धिकता में पारंपरिक बाधाओं जैसे सीमित पहुँच और कुशल चिकित्सा पेशेवरों की कमी को दूर करने की अपार क्षमता है। हालांकि, इस क्षमता का कार्यान्वयन मौजूदा सामाजिक स्तरीकरण और असमानताओं कोडिजिटल विभाजन और कलन विधि पूर्वाग्रह के माध्यम से पुनरू प्रस्तुत कर सकता है। सैद्धांतिक रूपरेखा में, अभिनेता-नेटवर्क सिद्धांत का उपयोग कृत्रिम बौद्धिकता और डेटा को एक सक्रिय गैर-मानव अभिनेता के रूप में समझने के लिए किया गया है, जबकि फूकोवादी आलोचनासत्ता, मानकीकरण, और निगरानी के तंत्रों का विश्लेषण करती है। रिपोर्ट यह निष्कर्ष निकालती है कि केवल प्रौद्योगिकी समाधानों पर निर्भर रहने के बजाय सामाजिक-प्रौद्योगिकी विन्यास को प्राथमिकता देना अनिवार्य है। समता-केंद्रित कृत्रिम बौद्धिकता शासन और        विकेन्द्रीकृत ‘केंद्र एवं परिधि’ मॉडल के माध्यम से ही कृत्रिम बौद्धिकता की क्षमता का पूर्ण और न्यायसंगत लाभ उठाया जा सकता है, जिससे ग्रामीण समुदायों में स्वास्थ्य समता सुनिश्चित हो सके।
DOI: 10.5281/zenodo.18300511
title: amphipholis_squamata_decontaminated_FSCR.fasta.gz
DOI: 10.5281/zenodo.18300512
title: amphipholis_squamata_decontaminated_FSCR.fasta.gz
DOI: 10.5281/zenodo.18302022
title: Supplementary Material for All Eyes on User Needs: Using Gaze and Pupillometric Measures to Identify Explanation Needs

description: This supplementary material contains:



A file containing the merged needs, timestamps, gaze patterns (MergedCodes)

A zip-file containing the coded needs and timestamps of rater R1-R3 (CodesRater1-3)

A zip-file containing the evaluation of the coded needs and gaze patterns (Evaluation Coding Tables)

A zip-file containing the screenshots of the software screens (SoftwareScreenshots)

A zip-file containing the exported and calculated fixation duration metrics (Fixation Duration)

A zip-file containing the exported and calculated saccadic amplitude metrics (Saccadic Amplitude)

A zip-file containing the exported and calculated pupil diameter metrics (Pupil Diameter)
DOI: 10.5281/zenodo.18302021
title: Supplementary Material for All Eyes on User Needs: Using Gaze and Pupillometric Measures to Identify Explanation Needs

description: This supplementary material contains:



A file containing the merged needs, timestamps, gaze patterns (MergedCodes)

A zip-file containing the coded needs and timestamps of rater R1-R3 (CodesRater1-3)

A zip-file containing the evaluation of the coded needs and gaze patterns (Evaluation Coding Tables)

A zip-file containing the screenshots of the software screens (SoftwareScreenshots)

A zip-file containing the exported and calculated fixation duration metrics (Fixation Duration)

A zip-file containing the exported and calculated saccadic amplitude metrics (Saccadic Amplitude)

A zip-file containing the exported and calculated pupil diameter metrics (Pupil Diameter)
DOI: 10.15468/dl.jrfjx3
title: Occurrence Download

description: A dataset containing 10659 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "TaxonKey is Alliaria petiolata",
 "Year 2025-2026"
 ]
}

 The dataset includes 10659 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020860-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j2camj
title: Occurrence Download

description: A dataset containing 31 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((99.128 9.77206, 99.05671100000001 9.766487, 98.987183 9.749907, 98.921137 9.722728, 98.860201 9.685623, 98.805881 9.639509, 98.759514 9.585523, 98.722241 9.525, 98.694976 9.459431, 98.678387 9.390434000000001, 98.67287399999999 9.319709, 98.678568 9.248998, 98.69532100000001 9.180042, 98.72271499999999 9.114535999999999, 98.760071 9.054092000000001, 98.806466 9.000195, 98.860758 8.954167999999999, 98.92161 8.917142999999999, 98.987528 8.890027999999999, 99.05689099999999 8.873488, 99.128 8.867929, 99.19910900000001 8.873488, 99.268472 8.890027999999999, 99.33439 8.917142999999999, 99.395242 8.954167999999999, 99.449534 9.000195, 99.495929 9.054092000000001, 99.53328500000001 9.114535999999999, 99.56067899999999 9.180042, 99.577432 9.248998, 99.58312599999999 9.319709, 99.577613 9.390434000000001, 99.561024 9.459431, 99.533759 9.525, 99.496486 9.585523, 99.450119 9.639509, 99.395799 9.685623, 99.334863 9.722728, 99.268817 9.749907, 99.19928899999999 9.766487, 99.128 9.77206))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 31 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020862-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5518/1621
title: Dataset for the study of Photocurrent generation by plant light-harvesting complexes is enhanced by lipid-linked chromophores in a self-assembled lipid membrane

description: This dataset shows the raw data, analysed data and documentation related to figures and tables from the study "Photocurrent generation by plant light-harvesting complexes is enhanced by lipid-linked chromophores in a self-assembled lipid membrane". This includes: absorbance spectra, fluorescence decay curves and spectra, analysis of fitting of fluorescence spectroscopy data, photocurrent data, action spetcra.
DOI: 10.15468/dl.r3rq62
title: Occurrence Download

description: A dataset containing 4026 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((103.911 1.897181, 103.840699 1.891613, 103.77213 1.875045, 103.706983 1.847886, 103.646863 1.810805, 103.59325 1.764716, 103.547464 1.710754, 103.510634 1.650249, 103.483664 1.58469, 103.467218 1.515692, 103.4617 1.444955, 103.467246 1.37422, 103.483716 1.305229, 103.510705 1.23968, 103.547549 1.179186, 103.593338 1.125238, 103.646947 1.079163, 103.707055 1.042094, 103.772182 1.014945, 103.840726 0.998383, 103.911 0.9928169999999999, 103.981274 0.998383, 104.049818 1.014945, 104.114945 1.042094, 104.175053 1.079163, 104.228662 1.125238, 104.274451 1.179186, 104.311295 1.23968, 104.338284 1.305229, 104.354754 1.37422, 104.3603 1.444955, 104.354782 1.515692, 104.338336 1.58469, 104.311366 1.650249, 104.274536 1.710754, 104.22875 1.764716, 104.175137 1.810805, 104.115017 1.847886, 104.04987 1.875045, 103.981301 1.891613, 103.911 1.897181))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 4026 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020861-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.f2n959
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Esox lucius",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1865",
 "Year is less than or equal to 1869"
 ]
}

 The dataset includes 6 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020863-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8wy5nf
title: Occurrence Download

description: A dataset containing 76957 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ecdyonurus",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 76957 records from 206 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020821-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.17886435
title: Pre-testing of LVT flooring waste for use in window profiles

description: Pre-testing of LVT flooring waste for checking suitable for use in window profile extrusion (ID25)
DOI: 10.5281/zenodo.18302218
title: Pre-testing of LVT flooring waste for use in window profiles

description: Pre-testing of LVT flooring waste for checking suitable for use in window profile extrusion (ID25)
DOI: 10.15468/dl.emjgsr
title: Occurrence Download

description: A dataset containing 495 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Catálogo de cangrejos anomuros y braquiuros de las lagunas costeras de mayor extensión en el litoral mexicano del Golfo de México"
 ]
}

 The dataset includes 495 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020864-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18302231
title: Psoralea pinnata L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.5281/zenodo.18302232
title: Psoralea pinnata L. In: Marchesi E., Mailhos A. & Bonifacino J.M. (Eds.). Flora Uruguaya: Flora Vascular del Uruguay. ISSN 3121-2050, V. 1.0.

description: Citable snapshot. Includes PDF and CSV of collections. Date: January 13th, 2026 at 16:53
DOI: 10.5281/zenodo.14359055
title: Coarse-grained MD simulation provenance of membrane embedded GPCR using GROMACS and aiida-gromacs

description: Example setup of a martini2 coarse-grained molecular dynamics simulation of the active state PTH2R (Parathyroid hormone receptor type 2) protein embedded in a lipid bilayer membrane along with water and counter-ions. Command-line tools provided in aiida-gromacs are used to track each step performed on the terminal.

The data:

The files in this zenodo record are:

1144.dot.pdf: The image of the graph representation for the simulation workflow.

gpcr_all_steps.aiida: The aiida archive file where all simulation setup steps performed in this work are packaged.

run_commands.sh: The script used to produce the provenance data for this system.

inputs_only.zip: Simulation setup input files for the 'run_commands.sh' script.

The output files produced from the aiida-gromacs provenance tool used to collect the simulation steps for the are in the following files:

1_protein.zip: Output files for the retrieval and cleaning up of the protein structure.

2_martinize.zip: Output files for the protein coarse graining steps.

3_insane.zip: Output files for building the lipid bilayer membrane around the coarse-grained protein.

4_gromacs.zip: Output files for the ionisation steps in gromacs.

5_gromacs.zip: Output files for minimisation, equilibration and production simulation of the simulated system.

The stripped trajectory for the active and inactive states of PTH2R are in the following files:

R1a.pdb and R1a.xtc: pdb and trajectory of coordinates for the active state protein.

R1i.pdb and R1i.xtc: pdb and trajectory of coordinates for the inactive state protein.
DOI: 10.5281/zenodo.14359056
title: Coarse-grained MD simulation provenance of membrane embedded GPCR using GROMACS and aiida-gromacs

description: Example setup of a martini2 coarse-grained molecular dynamics simulation of the active state PTH2R (Parathyroid hormone receptor type 2) protein embedded in a lipid bilayer membrane along with water and counter-ions. Command-line tools provided in aiida-gromacs are used to track each step performed on the terminal.

The data:

The files in this zenodo record are:

1144.dot.pdf: The image of the graph representation for the simulation workflow.

gpcr_all_steps.aiida: The aiida archive file where all simulation setup steps performed in this work are packaged.

run_commands.sh: The script used to produce the provenance data for this system.

inputs_only.zip: Simulation setup input files for the 'run_commands.sh' script.

The output files produced from the aiida-gromacs provenance tool used to collect the simulation steps for the are in the following files:

1_protein.zip: Output files for the retrieval and cleaning up of the protein structure.

2_martinize.zip: Output files for the protein coarse graining steps.

3_insane.zip: Output files for building the lipid bilayer membrane around the coarse-grained protein.

4_gromacs.zip: Output files for the ionisation steps in gromacs.

5_gromacs.zip: Output files for minimisation, equilibration and production simulation of the simulated system.

The stripped trajectory for the active and inactive states of PTH2R are in the following files:

R1a.pdb and R1a.xtc: pdb and trajectory of coordinates for the active state protein.

R1i.pdb and R1i.xtc: pdb and trajectory of coordinates for the inactive state protein.