cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2pmcj7
title: CCDC 2491269: Experimental Crystal Structure Determination

description: Related Article: Andreas Stoy, Johannes Schwarzmann, Felix Geist, Ahmed Fetoh, Malte Jürgensen, Jordi Poater, Istemi Kuzu, Crispin Lichtenberg|2026|Helv.Chim.Acta|109|e00182|doi:10.1002/hlca.202500182
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pndmd
title: CCDC 2492264: Experimental Crystal Structure Determination

description: Related Article: Daniel Franz, Thomas R. Frost, Sebastian Stigler, Shigeyoshi Inoue|2026|Inorg.Chem.Front.|||doi:10.1039/d5qi02493e
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.18598397
title: Microsecond dynamics dataset for "Unconventional DNA architecture in a dopamine–bound aptamer complex"

description: This dataset contains input and output files for the Amber ensemble production and microsecond MD experiments for the publication "Unconventional DNA architecture in a dopamine–bound aptamer complex".

It contains 1 zip file per replicate, each with the following directories:



out: output files

trajectories

restart files


The system preparation and ensemble production files are deposited at https://doi.org/10.5281/zenodo.18596592
DOI: 10.5281/zenodo.18598398
title: Microsecond dynamics dataset for "Unconventional DNA architecture in a dopamine–bound aptamer complex"

description: This dataset contains input and output files for the Amber ensemble production and microsecond MD experiments for the publication "Unconventional DNA architecture in a dopamine–bound aptamer complex".

It contains 1 zip file per replicate, each with the following directories:



out: output files

trajectories

restart files


The system preparation and ensemble production files are deposited at https://doi.org/10.5281/zenodo.18596592
DOI: 10.5517/ccdc.csd.cc2pndnf
title: CCDC 2492265: Experimental Crystal Structure Determination

description: Related Article: Daniel Franz, Thomas R. Frost, Sebastian Stigler, Shigeyoshi Inoue|2026|Inorg.Chem.Front.|||doi:10.1039/d5qi02493e
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pnh62
title: CCDC 2492344: Experimental Crystal Structure Determination

description: Related Article: Hidemitsu Iwamoto, Yusuke Sunada, Yoshimasa Wada|2026|Chemical Science|17|3023|doi:10.1039/d5sc09340f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pnhd8
title: CCDC 2492350: Experimental Crystal Structure Determination

description: Related Article: Hidemitsu Iwamoto, Yusuke Sunada, Yoshimasa Wada|2026|Chemical Science|17|3023|doi:10.1039/d5sc09340f
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pnknl
title: CCDC 2492420: Experimental Crystal Structure Determination

description: Related Article: Angela Punzi, Tobias Ullrich, Michele Orza, Davide Mesto, Anna Moliterni, Vincent Olieric, Sylvain Engilberge, Cinzia Giannini, Fabrizia Negri, Dirk M. Guldi, Davide Blasi, Gianluca M. Farinola|2026|Angew.Chem.,Int.Ed.|65|e24043|doi:10.1002/anie.202524043
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pnksq
title: CCDC 2492424: Experimental Crystal Structure Determination

description: Related Article: Angela Punzi, Tobias Ullrich, Michele Orza, Davide Mesto, Anna Moliterni, Vincent Olieric, Sylvain Engilberge, Cinzia Giannini, Fabrizia Negri, Dirk M. Guldi, Davide Blasi, Gianluca M. Farinola|2026|Angew.Chem.,Int.Ed.|65|e24043|doi:10.1002/anie.202524043
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pprx2
title: CCDC 2493575: Experimental Crystal Structure Determination

description: Related Article: Colin Lawler, Yu Zhang|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05167
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ppvw4
title: CCDC 2493667: Experimental Crystal Structure Determination

description: Related Article: S Banuprakash Goud, Raju L. Dhakar, Sampak Samanta|2026|J.Org.Chem.|||doi:10.1021/acs.joc.5c03006
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ppvx5
title: CCDC 2493668: Experimental Crystal Structure Determination

description: Related Article: S Banuprakash Goud, Raju L. Dhakar, Sampak Samanta|2026|J.Org.Chem.|||doi:10.1021/acs.joc.5c03006
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pqrry
title: CCDC 2494531: Experimental Crystal Structure Determination

description: Related Article: Di Zhang, Xudong Bai, Xiao Yang, Yushuang Zhang, Yanning Cheng, Qi Xiong, Shang‐Da Jiang, Dahui Zhao|2026|Angew.Chem.,Int.Ed.|65|e23047|doi:10.1002/anie.202523047
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.2f4meg
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-75.07009 5.20597,-68.98492 5.20597,-68.98492 7.63887,-75.07009 7.63887,-75.07009 5.20597))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Cavanillesia chicamochae"
 ]
}

 The dataset includes 32 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0012036-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.18596591
title: Ensemble dataset for "Unconventional DNA architecture in a dopamine–bound aptamer complex"

description: This dataset contains input and output files for the Amber system preparation and ensemble production for the publication "Unconventional DNA architecture in a dopamine–bound aptamer complex".

It contains 6 zip files:

system_prep.zip



input:



coordinates: input coordinates produced with Leap

topologies: input topologies produced with Leap

restraints: NMR-derived restraint file 

parameters: Amber input parameter files for all simulation steps



1_min: initial minimization step

2_heat: heating step

3_eq: equilibration steps


ensemble.zip



4_prod_ensemble: production step for ensemble production



out: output files

trajectories

restart files



5_min: final minimization step for ensemble production


rmsd.zip. Pairwise RMSD values for the ensemble, replicated microsecond MD experiments, and unconstrained control for plotting.

pca.zip. Scree plot and pca_values for plotting the comparative analysis of the 15 models in the ensemble.

dssr.zip. DSSR analysis results for the ensemble

hbonds.zip. Hbond data (distances and angles) and formation frequency for for plotting the formation of H-bonds over the course of the four restrained MD microsecond simulations, and the unrestrainted and no-dopamine controls.

Microsecond MD experiment files are deposited at https://doi.org/10.5281/zenodo.18598398
DOI: 10.5281/zenodo.18596592
title: Ensemble dataset for "Unconventional DNA architecture in a dopamine–bound aptamer complex"

description: This dataset contains input and output files for the Amber system preparation and ensemble production for the publication "Unconventional DNA architecture in a dopamine–bound aptamer complex".

It contains 6 zip files:

system_prep.zip



input:



coordinates: input coordinates produced with Leap

topologies: input topologies produced with Leap

restraints: NMR-derived restraint file 

parameters: Amber input parameter files for all simulation steps



1_min: initial minimization step

2_heat: heating step

3_eq: equilibration steps


ensemble.zip



4_prod_ensemble: production step for ensemble production



out: output files

trajectories

restart files



5_min: final minimization step for ensemble production


rmsd.zip. Pairwise RMSD values for the ensemble, replicated microsecond MD experiments, and unconstrained control for plotting.

pca.zip. Scree plot and pca_values for plotting the comparative analysis of the 15 models in the ensemble.

dssr.zip. DSSR analysis results for the ensemble

hbonds.zip. Hbond data (distances and angles) and formation frequency for for plotting the formation of H-bonds over the course of the four restrained MD microsecond simulations, and the unrestrainted and no-dopamine controls.

Microsecond MD experiment files are deposited at https://doi.org/10.5281/zenodo.18598398
DOI: 10.5517/ccdc.csd.cc2p5d8k
title: CCDC 2477838: Experimental Crystal Structure Determination

description: Related Article: Dharmraj Prajapati, Navjot Kaur, Pranay Kumar Maitra, Valiyakath Abdul Rinshad, Mrinmoy De, Partha Sarathi Mukherjee|2026|Angew.Chem.,Int.Ed.|65|e21285|doi:10.1002/anie.202521285
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pxb10
title: CCDC 2499872: Experimental Crystal Structure Determination

description: Related Article: Deebakkrishnan Ganesan, Hwijoong Kim, Yu-Qi Li, Jeongjae Noh, Wen-Yu Chen, Shao-Huan Hong, Cheng-Liang Liu, Ming-Chou Chen, Choongik Kim|2026|J.Mater.Chem.C|||doi:10.1039/d5tc04019a
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pxy8v
title: CCDC 2500468: Experimental Crystal Structure Determination

description: Related Article: Yuhang Gao, Lu Tang, You-Jun Yu, Ming Zhang, Feng Li|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19217
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pqzq4
title: CCDC 2494747: Experimental Crystal Structure Determination

description: Related Article: Fengfeng Wang, Xiaowen Hu, Caiyu Zhang, Lin Luan, Zhengzheng Zhou, Yang Liu
|2026|Molecules|31|502|doi:10.3390/molecules31030502
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pqzr5
title: CCDC 2494748: Experimental Crystal Structure Determination

description: Related Article: Fengfeng Wang, Xiaowen Hu, Caiyu Zhang, Lin Luan, Zhengzheng Zhou, Yang Liu
|2026|Molecules|31|502|doi:10.3390/molecules31030502
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2pqzs6
title: CCDC 2494749: Experimental Crystal Structure Determination

description: Related Article: Fengfeng Wang, Xiaowen Hu, Caiyu Zhang, Lin Luan, Zhengzheng Zhou, Yang Liu
|2026|Molecules|31|502|doi:10.3390/molecules31030502
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2q0fhp
title: CCDC 2502862: Experimental Crystal Structure Determination

description: Related Article: Fengfeng Wang, Xiaowen Hu, Caiyu Zhang, Lin Luan, Zhengzheng Zhou, Yang Liu
|2026|Molecules|31|502|doi:10.3390/molecules31030502
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15468/dl.f7vank
title: Occurrence Download

description: A dataset containing 118882 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Amaranthus retroflexus"
 ]
}

 The dataset includes 118882 records from 1398 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011877-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dd.7f6gay
title: Distribution records of Diaphus fragilis

description: These records of Diaphus fragilis were downloaded from GBIF on 2019-09-11.
DOI: 10.15468/dl.kyngwh
title: Occurrence Download

description: A dataset containing 7084 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is USA.34_1",
 "OccurrenceStatus is Present",
 "TaxonKey is Harmonia axyridis"
 ]
}

 The dataset includes 7084 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007450-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/rst-9gp-lsl
title: Diacria trispinosa (Blainville, 1821)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/fr8-dtv-qyn
title: Abra alba (W. Wood, 1802)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qls-v9g-grd
title: Odostomia plicata (Montagu, 1803)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1gr-vqj-2kv
title: Cymbulia peronii Blainville, 1818

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vb4-pl0-jqs
title: Triptychus niveus (Mörch, 1875)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/n9b-f0k-psp
title: Odostomia striolata Forbes & Hanley, 1850

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/01r-qpb-p8f
title: Smithiella costulata (Risso, 1826)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/3y8-vd0-7kt
title: Vitreolina cionella (Monterosato, 1878)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/54w-zxw-cs8
title: Mytilaster marioni (Locard, 1889)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ah4-4w9-s9m
title: Crisilla beniamina (Monterosato, 1884)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/q1n-f3x-qt2
title: Alvania lineata Risso, 1826

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/r23-bb4-n63
title: Acanthocardia echinata (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/v0m-07n-0t1
title: Turritella carinifera Lamarck, 1822

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5bq-r98-h6a
title: Crisilla simulans (Locard, 1886)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/f52-39x-vxk
title: Caecum auriculatum de Folin, 1868

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/jfz-74h-sgj
title: Acteocina knockeri (E. A. Smith, 1872)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7qc-m0e-f8v
title: Euglesa obtusalis (Lamarck, 1818)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/q8y-bqp-xmm
title: Parthenina emaciata (Brusina, 1866)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1bm-91x-wvh
title: Cymbulia peronii Blainville, 1818

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/274-alr-6lc
title: Clio pyramidata Linnaeus, 1767

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/e5z-4ex-377
title: Diacria trispinosa (Blainville, 1821)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ax6-8zm-zkw
title: Chondrina avenacea avenacea (Bruguière, 1792)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/zwp-pfj-e69
title: Abida polyodon (Draparnaud, 1801)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/na0-hla-g0w
title: Skeneopsis planorbis (O. Fabricius, 1780)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/z9l-ts3-dhn
title: Mactra stultorum (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nz6-2mn-k7k
title: Aporrhais senegalensis Gray, 1838

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2r4-6ah-75n
title: Eatonina fulgida (J. Adams, 1797)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/yb7-lxg-b3q
title: Eatonina fulgida (J. Adams, 1797)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0py-epg-qe1
title: Sphaerium lacustre (O. F. Müller, 1774)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/mn7-zz3-bnm
title: Pisidium C. Pfeiffer, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/sjr-4eb-c63
title: Philine punctata (J. Adams, 1800)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/yh9-klx-hdv
title: Euglesa subtruncata (Malm, 1855)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vpa-6th-45s
title: Ringicula conformis Monterosato, 1877

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/gdz-60c-w5q
title: Lirobarleeia granti (A. M. Strong, 1938)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xgq-j6h-kb6
title: Alvania zetlandica (Montagu, 1816)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/218-f5t-gwa
title: Ondina warreni (W. Thompson, 1845)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wjr-gjw-qsl
title: Euglesa henslowana (Sheppard, 1825)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/40z-q06-sty
title: †Granulina clandestina (Brocchi, 1814)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/hj6-qvh-5p7
title: Metaxia metaxa (Delle Chiaje, 1828)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/tz7-nc5-zdr
title: Gibberula epigrus (Reeve, 1865)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.