cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.g82jfy
title: Occurrence Download

description: A dataset containing 1155 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Genista cinerascens Lange"
 ]
}

 The dataset includes 1155 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020211-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xqgw7m
title: Occurrence Download

description: A dataset containing 954 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Mexico, Costa Rica, Honduras, Guatemala, El Salvador, Nicaragua, Panama, Belize, Brazil, Cuba)",
 "OccurrenceStatus is Present",
 "TaxonKey is Scoliosorus ensiformis (Hook.) T.Moore"
 ]
}

 The dataset includes 954 records from 64 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020212-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dhd2up
title: Occurrence Download

description: A dataset listing the 281 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is Herpetofauna del Estado de Veracruz"
 ]
}

 The dataset's 281 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020210-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.25514572
title: Inteligencia Artificial: creando material didáctico para Física y Química de la ESO

description: Datos suplementarios del trabajo enviado a la revista “<i>Aula</i>”:Vergara González, R. M. y Carrillo-Rosúa, J. (2024). Inteligencia Artificial: creando material didáctico para Física y Química en la ESO. Enviado a <i>Aula</i>.Contiene 4 anexos:Anexo I: Diagrama extenso de prompts y situaciones de aprendizaje numeradasAnexo II: Texto de entrada para la obtención de situaciones de aprendizaje con ChatGPT y PerplexityAnexo III: Ejemplo de situación de aprendizaje elaborada con ChatGPT v3.5Anexo IV: Tablas de análisis cuantitativo
DOI: 10.6084/m9.figshare.25514572.v1
title: Inteligencia Artificial: creando material didáctico para Física y Química de la ESO

description: Datos suplementarios del trabajo enviado a la revista “<i>Edutec. Revista Electrónica de Tecnología Educativa</i>”:Vergara González, R. M. y Carrillo-Rosúa, J. (2024). Inteligencia Artificial: creando material didáctico para Física y Química en la ESO. Enviado a <i>Edutec. Revista Electrónica de Tecnología Educativa</i>.Contiene 4 anexos:Anexo I: Diagrama extenso de prompts y situaciones de aprendizaje numeradasAnexo II: Texto de entrada para la obtención de situaciones de aprendizaje con ChatGPT y PerplexityAnexo III: Ejemplo de situación de aprendizaje elaborada con ChatGPT v3.5Anexo IV: Tablas de análisis cuantitativo
DOI: 10.15468/dl.a9pnkt
title: Occurrence Download

description: A dataset containing 516720 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Peru",
 "DatasetKey is one of (Observation.org, Nature data from around the World, Tropicos MO Specimen Data, Field Museum of Natural History (Botany) Seed Plant Collection, The New York Botanical Garden Herbarium (NY), Royal Botanic Gardens, Kew - Herbarium Specimens)",
 "TaxonKey is Plantae"
 ]
}

 The dataset includes 516720 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020203-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ms9ayq
title: Occurrence Download

description: A dataset containing 9624 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Eois Hübner, 1818"
 ]
}

 The dataset includes 9624 records from 47 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020213-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t26ues
title: Occurrence Download

description: A dataset containing 323 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Globodera rostochiensis (Wollenweber, 1923) Skarbilovich, 1959"
 ]
}

 The dataset includes 323 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020215-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v5dyv9
title: Occurrence Download

description: A dataset containing 68155 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Genista umbellata subsp. equisetiformis (Spach) Rivas Goday & Rivas Mart."
 ]
}

 The dataset includes 68155 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020214-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.54zzw3
title: Occurrence Download

description: A dataset containing 327755 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Country is Brazil",
 "OccurrenceStatus is Present",
 "TaxonKey is Aves"
 ]
}

 The dataset includes 327755 records from 161 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0020201-241024112534372/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2jdbfq
title: CCDC 2335553: Experimental Crystal Structure Determination

description: Related Article: Simone T. Hauer, Patrick Kuhn, J. Maurice Pütz, Guido J. Reiss, Lukas P. Sorge, Christian Ganter, Katja Heinze, Thomas J. J. Müller|2024|Org.Chem.Front.|11|5741|doi:10.1039/D4QO01155D
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.cc2jfvsm
title: CCDC 2337021: Experimental Crystal Structure Determination

description: Related Article: Jiabing Teng, Xifang Zhang, Ying Song, Nayu Chen, Yuanfei Zhang|2024|Org.Chem.Front.|11|5914|doi:10.1039/D4QO01235F
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.cc2jklg5
title: CCDC 2340607: Experimental Crystal Structure Determination

description: Related Article: Jeannine Yang, Clément Soep, Jérémy Forté, Héloïse Dossmann, Benoît Bertrand|2024|Dalton Trans.|53|16144|doi:10.1039/D4DT02092H
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.cc2jklk8
title: CCDC 2340610: Experimental Crystal Structure Determination

description: Related Article: Jeannine Yang, Clément Soep, Jérémy Forté, Héloïse Dossmann, Benoît Bertrand|2024|Dalton Trans.|53|16144|doi:10.1039/D4DT02092H
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.cc2jmhf3
title: CCDC 2342435: Experimental Crystal Structure Determination

description: Related Article: Swapnil V. Halnor, Maneesha Singh, Pawan S. Dhote, Chepuri V. Ramana|2024|J.Org.Chem.|89|14919|doi:10.1021/acs.joc.4c01667
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.cc2jmhh5
title: CCDC 2342437: Experimental Crystal Structure Determination

description: Related Article: Swapnil V. Halnor, Maneesha Singh, Pawan S. Dhote, Chepuri V. Ramana|2024|J.Org.Chem.|89|14919|doi:10.1021/acs.joc.4c01667
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.cc2jx54s
title: CCDC 2350765: Experimental Crystal Structure Determination

description: Related Article: Hélène Beucher, Ismail Alahyen, Alex Talbot, Thomas Poisson, Philippe Jubault|2024|Org.Chem.Front.|11|5859|doi:10.1039/D4QO01139B
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.cc2jx55t
title: CCDC 2350766: Experimental Crystal Structure Determination

description: Related Article: Hélène Beucher, Ismail Alahyen, Alex Talbot, Thomas Poisson, Philippe Jubault|2024|Org.Chem.Front.|11|5859|doi:10.1039/D4QO01139B
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.cc2khtvr
title: CCDC 2368705: Experimental Crystal Structure Determination

description: Related Article: Simon H. F. Schreiner, Fabian Göhler, C. Christopher Almquist, Tobias Rüffer, Warren E. Piers, Thomas Seyller, Robert Kretschmer|2024|Inorg.Chem.|63|19665|doi:10.1021/acs.inorgchem.4c02833
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.cc2khtws
title: CCDC 2368706: Experimental Crystal Structure Determination

description: Related Article: Simon H. F. Schreiner, Fabian Göhler, C. Christopher Almquist, Tobias Rüffer, Warren E. Piers, Thomas Seyller, Robert Kretschmer|2024|Inorg.Chem.|63|19665|doi:10.1021/acs.inorgchem.4c02833
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.cc2khtxt
title: CCDC 2368707: Experimental Crystal Structure Determination

description: Related Article: Simon H. F. Schreiner, Fabian Göhler, C. Christopher Almquist, Tobias Rüffer, Warren E. Piers, Thomas Seyller, Robert Kretschmer|2024|Inorg.Chem.|63|19665|doi:10.1021/acs.inorgchem.4c02833
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.cc2khtyv
title: CCDC 2368708: Experimental Crystal Structure Determination

description: Related Article: Simon H. F. Schreiner, Fabian Göhler, C. Christopher Almquist, Tobias Rüffer, Warren E. Piers, Thomas Seyller, Robert Kretschmer|2024|Inorg.Chem.|63|19665|doi:10.1021/acs.inorgchem.4c02833
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.cc2khtzw
title: CCDC 2368709: Experimental Crystal Structure Determination

description: Related Article: Simon H. F. Schreiner, Fabian Göhler, C. Christopher Almquist, Tobias Rüffer, Warren E. Piers, Thomas Seyller, Robert Kretschmer|2024|Inorg.Chem.|63|19665|doi:10.1021/acs.inorgchem.4c02833
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.cc2kk7lz
title: CCDC 2370061: Experimental Crystal Structure Determination

description: Related Article: Jiarong Wu, Clara Li, Lasse Kreimendahl, Jake L. Greenfield|2024|Chem.Commun.|60|12365|doi:10.1039/D4CC03517H
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.cc2kmxsx
title: CCDC 2372640: Experimental Crystal Structure Determination

description: Related Article: Nikolaos-Angelos Stamos, Charles J. McMonagle, Gemma F. Turner, David R. Allan, Mark R. Warren, Anna J. Warren, Neil B. McKeown, Stephen A. Moggach|2024|Chem.Commun.|60|11508|doi:10.1039/D4CC03896G
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.cc2kmxty
title: CCDC 2372641: Experimental Crystal Structure Determination

description: Related Article: Nikolaos-Angelos Stamos, Charles J. McMonagle, Gemma F. Turner, David R. Allan, Mark R. Warren, Anna J. Warren, Neil B. McKeown, Stephen A. Moggach|2024|Chem.Commun.|60|11508|doi:10.1039/D4CC03896G
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.cc2kmxvz
title: CCDC 2372642: Experimental Crystal Structure Determination

description: Related Article: Nikolaos-Angelos Stamos, Charles J. McMonagle, Gemma F. Turner, David R. Allan, Mark R. Warren, Anna J. Warren, Neil B. McKeown, Stephen A. Moggach|2024|Chem.Commun.|60|11508|doi:10.1039/D4CC03896G
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.cc2kn5r5
title: CCDC 2372887: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Songmeng Wang, Xiu-Fang Song, Xiaoyong Chang, Chao Zou, Wei Lu, Kai Li|2024|Chem.Commun.|60|11524|doi:10.1039/D4CC03944K
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.cc2kn5yc
title: CCDC 2372893: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Songmeng Wang, Xiu-Fang Song, Xiaoyong Chang, Chao Zou, Wei Lu, Kai Li|2024|Chem.Commun.|60|11524|doi:10.1039/D4CC03944K
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.cc2kn60g
title: CCDC 2372895: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Songmeng Wang, Xiu-Fang Song, Xiaoyong Chang, Chao Zou, Wei Lu, Kai Li|2024|Chem.Commun.|60|11524|doi:10.1039/D4CC03944K
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.cc2kngh6
title: CCDC 2373158: Experimental Crystal Structure Determination

description: Related Article: Jiang He, Songmeng Wang, Xiu-Fang Song, Xiaoyong Chang, Chao Zou, Wei Lu, Kai Li|2024|Chem.Commun.|60|11524|doi:10.1039/D4CC03944K
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.cc2kqtfk
title: CCDC 2375419: Experimental Crystal Structure Determination

description: Related Article: Meng-Sha Chen, Xing Liu, Jian Zhou, Yang-Lian Hu|2024|Inorg.Chem.|63|19906|doi:10.1021/acs.inorgchem.4c03355
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.cc2ky93y
title: CCDC 2381640: Experimental Crystal Structure Determination

description: Related Article: Swapnil V. Halnor, Maneesha Singh, Pawan S. Dhote, Chepuri V. Ramana|2024|J.Org.Chem.|89|14919|doi:10.1021/acs.joc.4c01667
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.14031451
title: AlphaFold2-Based Characterization of Apo and Holo Protein Structures and Conformational Ensembles Using Randomized Alanine Sequence Scanning Adaptation: Capturing Shared Signature Dynamics and Ligand-Induced Conformational Changes

description: Proteins often exist in multiple conformational states, influenced by the binding of ligands or substrates. The study of these states, particularly the apo (unbound) and holo (ligand-bound) forms, is crucial for understanding protein function, dynamics, and interactions. In the current study, we use AlphaFold2 that combines randomized  alanine  sequence masking  with shallow multiple sequence alignment  subsampling to expand the conformational diversity of the predicted structural  ensembles and   capture conformational changes between apo and holo protein forms. Using several well-established datasets of  structurally diverse apo-holo protein pairs, the proposed approach enables  robust predictions of apo and holo structures and conformational ensembles, while also displaying notably similar dynamics distributions. These observations are consistent with  the view  that the intrinsic dynamics of allosteric proteins is defined by the structural topology of the fold and favors conserved conformational motions driven by soft modes among orthologs. We also found  a significant correlation between conformational flexibility and  AlphaFold2 metric of statistical significance pLDDT for the apo-holo pairs in which ligand binding induced local moderate conformational changes. For apo-holo pairs exhibiting larger structural changes, this relationship  becomes nonlinear, reflecting inability of AlphaFold2 confidence metrics to identify high energy functional conformations. Our findings support the notion that AlphaFold2 approaches can yield reasonable accuracy in predicting minor conformational adjustments between apo and holo states, especially for proteins with  moderate localized changes upon ligand binding. However, for large, hinge-like domain movements, AF2 tends to predict the most stable domain orientation which is typically the apo form rather than the full range of functional conformations characteristic of the holo ensemble. These results indicate that modeling of multiple functional states of proteins may require more accurate detection of flexible region conformations and cannot solely rely on the pLDDT metric as the major determinant of the prediction accuracy in reproducing functional conformational ensembles.