cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.60905/xgwfjg
title: Levantaron sanciones a cuatro estudiantes de la u

description: &lt;p&gt;El Consejo Directivo en cabeza del rector William Rojas Montoya, decidieron levantar las sanciones a los 4 estudiantes de Medicina. Seg��n el Consejo es el ���d��a m��s pac��fico del actual a��o lectivo, por la total normalizaci��n acad��mica". El hecho fue recibido de buena manera en la comunidad acad��mica. El movimiento estudiantil pasa por una divisi��n ya que muchos estudiantes est��n en clases y otros siguen convocando a asambleas. De todas formas se espera que el ambiente siga tranquilo para abordar los temas de reforma universitaria.&lt;/p&gt;
description: CONTEXTO DE LA NOTICIA: Pastrana y Allende en Bogot��; ser�� declarado ilegal el paro de educadores; Cuba suspende puente a��reo con EE.UU, Chile abre el congreso mundial para juventudes comunistas; El caf�� Colombiano en la bolsa de Londres; paro en hospital de Valledupar.
DOI: 10.25934/pr00012723
title: UNC Gates Ultrasound Data

description: N/a
DOI: 10.60966/nllh0i3d
title: IDB Group Impact Framework Portfolio Results: Dataset

description: This dataset provides detailed data on the Portfolio Results indicators of the IDB Group Impact Framework 2024-2030. 

The Impact Framework is the highest-level tool of the IDB, IDB Invest, and IDB Lab for monitoring performance and achieving strategic objectives under IDBStrategy. It serves important functions in both accountability and performance management, with indicators that capture our Mission Goals, Portfolio Results, and Performance Targets. 

This dataset contains the 2024-2030 indicators and targets that guide the work of the IDB, IDB Invest, and IDB Lab to deliver tangible results for Latin America and the Caribbean.
DOI: 10.17909/8dme-sy17
title: TESS "Fast" Target Pixel Files: Sector 100

description: All target pixel files for "fast" (20-second cadence) observations from Sector 100.
DOI: 10.17909/x1e6-hw68
title: TESS Target Pixel Files: Sector 100

description: All target pixel files for (2-minute cadence) observations from Sector 100.
DOI: 10.17909/0c6f-dk60
title: TESS "Fast" Light Curves: Sector 100

description: All light curve files for "fast" (20-second cadence) observations from Sector 100.
DOI: 10.17909/0jzb-y666
title: TESS Light Curves: Sector 100

description: All light curve files for (2-minute cadence) observations from Sector 100.
DOI: 10.17909/v0aq-7q19
title: TESS Raw Full Frame Images: Sector 100

description: All raw full frame images from Sector 100.
DOI: 10.17909/gskj-zq47
title: TESS Calibrated Full Frame Images: Sector 100

description: All calibrated full frame images from Sector 100.
DOI: 10.17909/hj5y-t938
title: TESS Data Validation Files: Sector 100

description: All data validation files from Sector 100.
DOI: 10.5281/zenodo.18614527
title: ISSUES IN DEVELOPING ADMINISTRATIVE AND LEGAL MECHANISMS FOR ENSURING GUARANTEES OF EQUAL RIGHTS AND OPPORTUNITIES FOR WOMEN AND MEN

description: This article examines the issues of developing administrative and legal mechanisms for ensuring guarantees of equal rights and opportunities for women and men. The study analyzes the role of public administration and legal regulation in implementing gender equality policies and preventing gender-based discrimination. Particular attention is paid to the structure and functioning of administrative mechanisms, including normative regulation, institutional coordination, monitoring, and accountability systems. The article also identifies key challenges in the practical implementation of gender equality norms and proposes directions for improving administrative and legal frameworks to enhance the effectiveness of gender equality protection.
DOI: 10.5281/zenodo.18614526
title: ISSUES IN DEVELOPING ADMINISTRATIVE AND LEGAL MECHANISMS FOR ENSURING GUARANTEES OF EQUAL RIGHTS AND OPPORTUNITIES FOR WOMEN AND MEN

description: This article examines the issues of developing administrative and legal mechanisms for ensuring guarantees of equal rights and opportunities for women and men. The study analyzes the role of public administration and legal regulation in implementing gender equality policies and preventing gender-based discrimination. Particular attention is paid to the structure and functioning of administrative mechanisms, including normative regulation, institutional coordination, monitoring, and accountability systems. The article also identifies key challenges in the practical implementation of gender equality norms and proposes directions for improving administrative and legal frameworks to enhance the effectiveness of gender equality protection.
DOI: 10.5281/zenodo.18614515
title: Data supporting the study: Novel EGFR Inhibitors from Phyllanthus niruri Target Resistant T790M Mutations

description: <p><strong>Dataset Description</strong></p> <p>This repository contains the comprehensive computational dataset supporting the research article <em>"Novel EGFR Inhibitors from Phyllanthus niruri Target Resistant T790M Mutations"</em>. This study addresses the critical challenge of acquired drug resistance in Hepatocellular Carcinoma (HCC) mediated by the EGFR T790M "gatekeeper" mutation.</p>

<p>The dataset provides raw inputs, configuration files, and quantitative analysis outputs for a library of 37 phytochemicals derived from <em>Phyllanthus niruri</em>, compared against clinical standards (Osimertinib and Mobocertinib). The study identifies dual-mechanism inhibitors capable of "super-polar anchoring" or "hydrophobic packing" to overcome resistance, combined with intrinsic hepatoprotective profiles suitable for cirrhotic populations.</p>

<p><strong>Methodological Pipeline</strong></p> <p>The data was generated using a high-throughput <em>in silico</em> pipeline including:</p> <ul> <li><strong>Structural Preparation:</strong> Refinement of the EGFR T790M/V948R kinase domain (PDB ID: 7A6K).</li> <li><strong>ADMET Profiling:</strong> Pharmacokinetics, toxicity (hERG, DILI), and biological activity predictions using SwissADME, pkCSM, Deep-PK, and PASS Online.</li> <li><strong>Molecular Docking:</strong> Blind docking campaigns performed with SwissDock (Attracting Cavities 2.0).</li> <li><strong>Molecular Dynamics:</strong> 100-nanosecond all-atom simulations executed in GROMACS 2023.4 (CHARMM36m force field).</li> <li><strong>Thermodynamics:</strong> Binding free energy calculations via the MM-PBSA method.</li> </ul>

<p><strong>Repository Structure</strong></p> <p>The dataset is organized into four (4) primary directories:</p> <ul> <li><strong>01_Protein_Preparation:</strong> Contains the cleaned, protonated, and validated receptor structure used for grid generation.</li> <li><strong>02_ADMET_Bioactivity_Predictions:</strong> Consists of 39 individual Excel workbooks containing detailed PK/Tox and kinome profiling for each compound.</li> <li><strong>03_Molecular_Docking:</strong> Includes raw output files, clustered binding poses, and summary energy scores (Delta G).</li> <li><strong>04_Molecular_Dynamics_Results:</strong> Contains statistical analysis reports (.txt) and high-resolution plots (.png) for RMSD, RMSF, Radius of Gyration, Hydrogen Bonds, and MM-PBSA energies. <em>Note: Raw trajectories are excluded due to size limitations.</em></li> </ul>

<p><strong>Usage Notes</strong></p> <p>This dataset is intended to ensure the reproducibility of the <em>in silico</em> findings and to foster further research into natural product-based kinase inhibitors. Users can utilize the docked poses and topology files to extend simulation times or apply alternative scoring functions.</p>
DOI: 10.5281/zenodo.18614516
title: Data supporting the study: Novel EGFR Inhibitors from Phyllanthus niruri Target Resistant T790M Mutations

description: <p><strong>Dataset Description</strong></p> <p>This repository contains the comprehensive computational dataset supporting the research article <em>"Novel EGFR Inhibitors from Phyllanthus niruri Target Resistant T790M Mutations"</em>. This study addresses the critical challenge of acquired drug resistance in Hepatocellular Carcinoma (HCC) mediated by the EGFR T790M "gatekeeper" mutation.</p>

<p>The dataset provides raw inputs, configuration files, and quantitative analysis outputs for a library of 37 phytochemicals derived from <em>Phyllanthus niruri</em>, compared against clinical standards (Osimertinib and Mobocertinib). The study identifies dual-mechanism inhibitors capable of "super-polar anchoring" or "hydrophobic packing" to overcome resistance, combined with intrinsic hepatoprotective profiles suitable for cirrhotic populations.</p>

<p><strong>Methodological Pipeline</strong></p> <p>The data was generated using a high-throughput <em>in silico</em> pipeline including:</p> <ul> <li><strong>Structural Preparation:</strong> Refinement of the EGFR T790M/V948R kinase domain (PDB ID: 7A6K).</li> <li><strong>ADMET Profiling:</strong> Pharmacokinetics, toxicity (hERG, DILI), and biological activity predictions using SwissADME, pkCSM, Deep-PK, and PASS Online.</li> <li><strong>Molecular Docking:</strong> Blind docking campaigns performed with SwissDock (Attracting Cavities 2.0).</li> <li><strong>Molecular Dynamics:</strong> 100-nanosecond all-atom simulations executed in GROMACS 2023.4 (CHARMM36m force field).</li> <li><strong>Thermodynamics:</strong> Binding free energy calculations via the MM-PBSA method.</li> </ul>

<p><strong>Repository Structure</strong></p> <p>The dataset is organized into four (4) primary directories:</p> <ul> <li><strong>01_Protein_Preparation:</strong> Contains the cleaned, protonated, and validated receptor structure used for grid generation.</li> <li><strong>02_ADMET_Bioactivity_Predictions:</strong> Consists of 39 individual Excel workbooks containing detailed PK/Tox and kinome profiling for each compound.</li> <li><strong>03_Molecular_Docking:</strong> Includes raw output files, clustered binding poses, and summary energy scores (Delta G).</li> <li><strong>04_Molecular_Dynamics_Results:</strong> Contains statistical analysis reports (.txt) and high-resolution plots (.png) for RMSD, RMSF, Radius of Gyration, Hydrogen Bonds, and MM-PBSA energies. <em>Note: Raw trajectories are excluded due to size limitations.</em></li> </ul>

<p><strong>Usage Notes</strong></p> <p>This dataset is intended to ensure the reproducibility of the <em>in silico</em> findings and to foster further research into natural product-based kinase inhibitors. Users can utilize the docked poses and topology files to extend simulation times or apply alternative scoring functions.</p>
DOI: 10.5281/zenodo.18562928
title: CLICS⁴ Wordlist in SQLite Format

description: This is a readily compiled wordlist in SQLite3-Format that was created from Version 0.5 of the CLICS⁴ database (see https://doi.org/10.5281/zenodo.16900180). The data reflects the original wordlist part of the CLICS⁴ database, provided in Cross-Linguistic Data Formats.
DOI: 10.5281/zenodo.18562927
title: CLICS⁴ Wordlist in SQLite Format

description: This is a readily compiled wordlist in SQLite3-Format that was created from Version 0.5 of the CLICS⁴ database (see https://doi.org/10.5281/zenodo.16900180). The data reflects the original wordlist part of the CLICS⁴ database, provided in Cross-Linguistic Data Formats.
DOI: 10.16907/e4aa9837-76b6-40f6-9060-e7292cd49e7e
title: Sparse electron data recorded with Jungfrau 

description: Supporting data for Ferajoui et.al. A 1 Megapixel charge integrating hybrid pixel detector for electron diffraction JINST 20 202510.1088/1748-0221/20/12/C12007

The research leading to these results has received funding from the Swiss National Science Foundation
(Grant n◦ 215650) and the Austrian Science Fund (Grant n◦
I 6546-N).
DOI: 10.5517/ccdc.csd.cc2nch7s
title: CCDC 2453905: Experimental Crystal Structure Determination

description: Related Article: Jia Ma, Xiao-Hui Li, Na Xu, Zhong Zhang, Chang Sun, Xiu-Li Wang
|2025|J.Catalysis|452|116444|doi:10.1016/j.jcat.2025.116444
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.cc2nyljr
title: CCDC 2471305: Experimental Crystal Structure Determination

description: Related Article: Zi-Kui Liu, Yun-Kun Su, Cong-Fang Cheng, Hao Dong, Yi Wei, Xiao-Qiang Hu, You-Quan Zou|2026|Org.Lett.|||doi:10.1021/acs.orglett.5c04617
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.cc2nzhfl
title: CCDC 2472170: Experimental Crystal Structure Determination

description: Related Article: Wenyu Lai, Xinrui Cui, Kexin Xu, Cailin Wei, Baodong Lin, Baolin Li|2026|Org.Lett.|||doi:10.1021/acs.orglett.5c05105
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.cc2p41jf
title: CCDC 2476544: Experimental Crystal Structure Determination

description: Related Article: Xiao-Yun Ruan, Chao-Ran Yang, Mostafa Sayed, Hui Yu, Shu-Sen Chen, Zhi-Yong Han, Liu-Zhu Gong|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c19864
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.cc2n7n1m
title: CCDC 2450210: Experimental Crystal Structure Determination

description: Related Article: Xiaolin Liu, Taeyoung Ki, Seungwoo Yoo, Guocheng Deng, Megalamane S. Bootharaju, Taeghwan Hyeon|2026|Nanoscale|||doi:10.1039/d5nr04708k
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.cc2p5jl0
title: CCDC 2477972: Experimental Crystal Structure Determination

description: Related Article: Tamal Ballav, Venkataraman Ganesh|2026|Synlett|||doi:10.1055/a-2759-6687
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.cc2p8zb9
title: CCDC 2481281: Experimental Crystal Structure Determination

description: Related Article: Cary R. Stennett, Makayla R. Luevano, Joseph W. Ziller, William J. Evans|2025|Chem.Commun.|62|547|doi:10.1039/d5cc04945h
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.cc2p8zcb
title: CCDC 2481282: Experimental Crystal Structure Determination

description: Related Article: Cary R. Stennett, Makayla R. Luevano, Joseph W. Ziller, William J. Evans|2025|Chem.Commun.|62|547|doi:10.1039/d5cc04945h
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.cc2ps5xl
title: CCDC 2495900: Experimental Crystal Structure Determination

description: Related Article: Chaima Jridi, Nour Elleuch, Sergiu Shova, Jerome Lhoste, Frédéric Amiard, Mohamed Boujelbene|2026|RSC Advances|16|6299|doi:10.1039/d5ra09478j
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.cc2pskhk
title: CCDC 2496259: Experimental Crystal Structure Determination

description: Related Article: Meiling Nie, Ting Jiao, Lin Wang, Chiyi Wang, Jiahan Jin, Jialu Hu, Yang Li, Hailu Zhang|2026|J.Mol.Struct.|1359||doi:10.1016/j.molstruc.2026.145506
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.cc2pthz0
title: CCDC 2497173: Experimental Crystal Structure Determination

description: Related Article: Tatsuhiro Kawaguchi, Yurina Shioda, Yutaro Hanai, Tsubasa Nakashima, Takashi Ooi|2026|J.Am.Chem.Soc.|||doi:10.1021/jacs.5c20284
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.cc2pw5f6
title: CCDC 2498768: Experimental Crystal Structure Determination

description: Related Article: Rihuang Pan, Hanxiao Shen, Yinong Wu, Yongtao Wang, Xufeng Lin|2026|Org.Lett.|||doi:10.1021/acs.orglett.5c04553
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.cc2pwxq7
title: CCDC 2499490: Experimental Crystal Structure Determination

description: Related Article: Natalia L. Bazyakina, Tatyana S. Koptseva, Mikhail A. Kiskin, Evgeny V. Baranov, Igor L. Fedushkin|2026|Inorg.Chim.Acta|595||doi:10.1016/j.ica.2026.123097
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.cc2pwxr8
title: CCDC 2499491: Experimental Crystal Structure Determination

description: Related Article: Natalia L. Bazyakina, Tatyana S. Koptseva, Mikhail A. Kiskin, Evgeny V. Baranov, Igor L. Fedushkin|2026|Inorg.Chim.Acta|595||doi:10.1016/j.ica.2026.123097
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.cc2pwy3n
title: CCDC 2499502: Experimental Crystal Structure Determination

description: Related Article: Jia-Xin Xu, Yan Zhang, Long Wang, Tao Shen, Dong-Mei Ren, Jian-Min Yue, Xiao-Ning Wang|2026|Org.Lett.|||doi:10.1021/acs.orglett.6c00016
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.cc2px3yp
title: CCDC 2499683: Experimental Crystal Structure Determination

description: Related Article: Li Wang, Shiting Lu, Min Chen, Ruihan Mao, Yibiao Li|2026|J.Org.Chem.|||doi:10.1021/acs.joc.5c02954
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.cc2dmk0m
title: CCDC 2223320: Experimental Crystal Structure Determination

description: Related Article: Carlos Gonzalo-Navarro, María Rodríguez-Castillo, Miguel Monge, José M. López-de-Luzuriaga, Félix A. Jalón, Ana M. Rodríguez, M. Victoria Gomez, Gema Durá, Blanca R. Manzano|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05185
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.cc2dmk2p
title: CCDC 2223322: Experimental Crystal Structure Determination

description: Related Article: Carlos Gonzalo-Navarro, María Rodríguez-Castillo, Miguel Monge, José M. López-de-Luzuriaga, Félix A. Jalón, Ana M. Rodríguez, M. Victoria Gomez, Gema Durá, Blanca R. Manzano|2026|Inorg.Chem.|||doi:10.1021/acs.inorgchem.5c05185
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.cc2py8gd
title: CCDC 2500784: Experimental Crystal Structure Determination

description: Related Article: Vincent M. Groner, Iaroslav E. Gureev, Brennan S. Billow, Ivan A. Popov, James M. Boncella|2026|Organometallics|||doi:10.1021/acs.organomet.5c00457
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.