cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7014933
title: A key residue of plant ABC transporter modulates access path geometry and phenylpropanoid substrate selectivity

description: The input and main output files used for the paper <em><strong>"A key residue of plant ABC transporter modulates access path geometry and phenylpropanoid substrate selectivity"</strong></em> are separated in the different tar files depending the MD stage they belong to. <strong>Content</strong> 00_AlphaFold2: The models predicted from AlphaFold2 01_build_system: The parameters for ATP and the initial pdb file used to build each system 02_minimization: Minimization input files for each variant 03_equilibration: Equilibration input files for each variant 04_long_equilibration: ATP restrained equilibration input files for each variant 05_free_equilibration: Free equilibration input files for each variant 06_production: Free production input files for each variant 07_caver: Caver calculations for each variant and replica 08_transport_tools: Analysis of tunnel networks using TransportTools software 09_tunnel_selection: Selection of the tunnels with widest bottleneck radius to perform CaverDock experiments 10_caverdock: CaverDock calculations for each variant and for each ligand tested 11_membrane_patch: MD simulations for liquiritigenin and POPC membrane only 12_MD_analysis: Calculations of RMSD, RMSF of each system. Calculation of helical parameters for trans-membrane helices 2, 5, 8 and 11 (not for APO). Calculation of X1 and X2 angles for residue N1331 in each variant (not for APO)
DOI: 10.5281/zenodo.7064727
title: Role of a transient access path within ABC protein in the selective transport of legume metabolites required for biotic stress response

description: The input and main output files used for the paper <em><strong>"Role of a transient access path within ABC protein in the selective transport of legume metabolites required for biotic stress response"</strong></em> are separated in the different tar files depending the MD stage they belong to. <strong>Content</strong> 00_AlphaFold2: The models predicted from AlphaFold2 01_build_system: The parameters for ATP and the initial pdb file used to build each system 02_minimization: Minimization input files for each variant 03_equilibration: Equilibration input files for each variant 04_long_equilibration: ATP restrained equilibration input files for each variant 05_free_equilibration: Free equilibration input files for each variant 06_production: Free production input files for each variant 07_caver: Caver calculations for each variant and replica 08_transport_tools: Analysis of tunnel networks using TransportTools software 09_tunnel_selection: Selection of the tunnels with widest bottleneck radius to perform CaverDock experiments 10_caverdock: CaverDock calculations for each variant and for each ligand tested 11_membrane_patch: MD simulations for liquiritigenin and POPC membrane only 12_MD_analysis: Calculations of RMSD, RMSF of each system. Calculation of helical parameters for trans-membrane helices 2, 5, 8 and 11 (not for APO). Calculation of X1 and X2 angles for residue N1331 in each variant (not for APO) ABC_Sequences.fasta: Sequences from 1KP analysis
DOI: 10.5281/zenodo.7060132
title: Data from the stochastic flood study of the Area of Special Flood Risk (ARPSI in Spanish) of Zamora, Spain.

description: The published data are part of the stochastic flood study of the city of Zamora, where the different uncertainties affecting the hydraulic model are considered in order to obtain a series of stochastic maps with important implications for flood risk management. HEC-RAS 2D has been used for the flood study and Python has been used to automate the stochastic analyses and modeling. The data corresponds to:<br> - Model inputs: the basic files to generate the model, the hydraulic model of HEC-RAS 2D and all the data related to the stochastic sampling of the procedure are considered as inputs.<br> - Model Outputs: Outputs are considered to be the results obtained in the different phases of the stochastic analysis (convergence maps, sensitivity maps and stochastic maps).
description: A future scientific paper is being prepared
DOI: 10.6084/m9.figshare.19095719
title: System data

description: System data
DOI: 10.6084/m9.figshare.19095719.v3
title: System data

description: System data
DOI: 10.5517/ccdc.csd.cc2bvq0y
title: CCDC 2170620: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Lydia M. Peschel, Christof Holzer, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvt34
title: CCDC 2170716: Experimental Crystal Structure Determination

description: Related Article: Viktorie Navarova, Jaromir Marek|2022|CSD Communication|||
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.cc2bvtbc
title: CCDC 2170723: Experimental Crystal Structure Determination

description: Related Article: Andrei V. Churakov|2022|CSD Communication|||
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.cc2bvyms
title: CCDC 2170856: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Gernot Nuss, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvzbj
title: CCDC 2170878: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Gernot Nuss, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvynt
title: CCDC 2170857: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Chris H. Sala, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvypv
title: CCDC 2170858: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Chris H. Sala, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvyqw
title: CCDC 2170859: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Chris H. Sala, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvyrx
title: CCDC 2170860: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Nidhi Grover, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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: 10.6084/m9.figshare.21069949
title: Trajectory files

description: MD simulation studies of selected hits
DOI: 10.6084/m9.figshare.21069949.v1
title: Trajectory files

description: MD simulation studies of selected hits
DOI: 10.5519/qd.td2yfvn7
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (154 records)
DOI: 10.5517/ccdc.csd.cc2bvysy
title: CCDC 2170861: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Nidhi Grover, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvytz
title: CCDC 2170862: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Nidhi Grover, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvyv0
title: CCDC 2170863: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Simon Walg, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvyw1
title: CCDC 2170864: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Niklas Zwettler, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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.cc2bvyx2
title: CCDC 2170865: Experimental Crystal Structure Determination

description: Related Article: Ferdinand Belaj, Carina Vidovic, Nadia C. Mösch-Zanetti|2022|CSD Communication|||
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: 10.34740/kaggle/dsv/4181635
title: 2021 World Population (updated daily)
DOI: 10.20375/0000-000f-73c7-f
title: DocuDataCollection.pdf
DOI: 10.20375/0000-000f-73c8-e
title: original-data.sav
DOI: 10.20375/0000-000f-73c9-d
title: original-data.xlsx
DOI: 10.5281/zenodo.7064716
title: Role of a transient access path within ABC protein in the selective transport of legume metabolites required for biotic stress response

description: The input and main output files used for the paper <em><strong>"Role of a transient access path within ABC protein in the selective transport of legume metabolites required for biotic stress response"</strong></em> are separated in the different tar files depending the MD stage they belong to. <strong>Content</strong> 00_AlphaFold2: The models predicted from AlphaFold2 01_build_system: The parameters for ATP and the initial pdb file used to build each system 02_minimization: Minimization input files for each variant 03_equilibration: Equilibration input files for each variant 04_long_equilibration: ATP restrained equilibration input files for each variant 05_free_equilibration: Free equilibration input files for each variant 06_production: Free production input files for each variant 07_caver: Caver calculations for each variant and replica 08_transport_tools: Analysis of tunnel networks using TransportTools software 09_tunnel_selection: Selection of the tunnels with widest bottleneck radius to perform CaverDock experiments 10_caverdock: CaverDock calculations for each variant and for each ligand tested 11_membrane_patch: MD simulations for liquiritigenin and POPC membrane only 12_MD_analysis: Calculations of RMSD, RMSF of each system. Calculation of helical parameters for trans-membrane helices 2, 5, 8 and 11 (not for APO). Calculation of X1 and X2 angles for residue N1331 in each variant (not for APO) ABC_Sequences.fasta: Sequences from 1KP analysis
DOI: 10.48320/ef126be6-1c02-4c7b-be45-3c4932936c54
title: The COVID-19 pandemic in the perception of the Russian population (Public Opinion Polls by the Levada Center)
DOI: 10.5281/zenodo.7064747
title: rbcL reference sequences of marine and freshwater diatoms

description: This database has been modified from the R-syst::Diatom rbcL database, version 9, accessed on 3.18.2021. (see Rimet et al.2016 for details) Sequences of mostly <em>Pseudo-nitzschia</em> from the Gulf of Trieste and some others missing from the database were added. The names of the sequences in the .fasta file are formatted in a way that they can be used directly in dada2 for taxonomic classification. This database represents a comprehensive marine diatom sequence archive.
DOI: 10.5281/zenodo.7064746
title: rbcL reference sequences of marine and freshwater diatoms

description: This database has been modified from the R-syst::Diatom rbcL database, version 9, accessed on 3.18.2021. (see Rimet et al.2016 for details) Sequences of mostly <em>Pseudo-nitzschia</em> from the Gulf of Trieste and some others missing from the database were added. The names of the sequences in the .fasta file are formatted in a way that they can be used directly in dada2 for taxonomic classification. This database represents a comprehensive marine diatom sequence archive.
DOI: 10.6084/m9.figshare.20806228.v3
title: Obispo-Díaz, et al., The emotion of gratitude as a mediator between subjective happiness, positive and negative affects and satisfaction with life in an adults Spanish sample. sav

description: Base de datos que incluye información sociodemográfica, ítems y puntuación total de las escalas CQ6, SWLS, SHS y Panas (positivo y negativo)
DOI: 10.6084/m9.figshare.12857573
title: Schatz_Park_code_data.zip

description: Data and code for analyses in manuscript "Host and parsite traits predict cross-species parasite acquisition by introduced mammals" (Schatz and Park 2021).
DOI: 10.6084/m9.figshare.12855497
title: Schatz_Park_model_output.zip

description: Model output from analyses in manuscript "Host and parsite traits predict cross-species parasite acquisition by introduced mammals" (Schatz and Park 2021).
DOI: 10.6084/m9.figshare.20806228
title: Obispo-Díaz, et al., Gratitud.sav

description: Base de datos que incluye información sociodemográfica, ítems y puntuación total de las escalas CQ6, SWLS, SHS y Panas (positivo y negativo)
DOI: 10.57745/bamewx/skhczb
title: 180912_PM_PEL_B13_f20_rbcL.h5

description: :unav
DOI: 10.5281/zenodo.7064831
title: Application of blender speed control technology in the processing of salak pondoh into coffee in Sibolong Hamlet

description: Dukuh Sibolong consists of nine RTs with a total population of 672. Based <br> on the information our team got from Mr. Suharno as the head of the hamlet. <br> The hamlet has several groups of informal community organizations such as <br> youth organizations, PKK women. The majority of the population of Sonyo <br> Hamlet are Muslim and have a livelihood as laborers, but there are also those <br> who work as entrepreneurs because the geographical location of Sibolong <br> Hamlet is located in the highlands. Actually, the hamlet of Sibolong has <br> natural potential in the form of Salak Pondoh. One of these has just been <br> processed into salak syrup. The potential of salak is managed by Mr. Suharno. <br> Mr. Suharno has a market opportunity of up to 600 products per month. <br> However, this opportunity brings consequences and problems, namely the <br> wrong seed grinding machine is not owned. Information about some of the <br> problems faced by the zalacca processors must of course be addressed as soon <br> as possible as a solution for developing the zalacca processing business. The <br> team that proposes service as part of the community who happens to be <br> involved in the world of education, feels compelled to help provide solutions <br> to the problems faced by Mr. Suharno's salak processing business. Through <br> this proposed program of science and technology activities and based on the <br> needs analysis that has been carried out, the service team tries to offer <br> solutions to these problems with a touch of science and technology, namely <br> through the main activity of designing a salak seed grinder to make salak <br> coffee. The solosi is used to improve the processing of salak coffee.
DOI: 10.5281/zenodo.7064830
title: Application of blender speed control technology in the processing of salak pondoh into coffee in Sibolong Hamlet

description: Dukuh Sibolong consists of nine RTs with a total population of 672. Based <br> on the information our team got from Mr. Suharno as the head of the hamlet. <br> The hamlet has several groups of informal community organizations such as <br> youth organizations, PKK women. The majority of the population of Sonyo <br> Hamlet are Muslim and have a livelihood as laborers, but there are also those <br> who work as entrepreneurs because the geographical location of Sibolong <br> Hamlet is located in the highlands. Actually, the hamlet of Sibolong has <br> natural potential in the form of Salak Pondoh. One of these has just been <br> processed into salak syrup. The potential of salak is managed by Mr. Suharno. <br> Mr. Suharno has a market opportunity of up to 600 products per month. <br> However, this opportunity brings consequences and problems, namely the <br> wrong seed grinding machine is not owned. Information about some of the <br> problems faced by the zalacca processors must of course be addressed as soon <br> as possible as a solution for developing the zalacca processing business. The <br> team that proposes service as part of the community who happens to be <br> involved in the world of education, feels compelled to help provide solutions <br> to the problems faced by Mr. Suharno's salak processing business. Through <br> this proposed program of science and technology activities and based on the <br> needs analysis that has been carried out, the service team tries to offer <br> solutions to these problems with a touch of science and technology, namely <br> through the main activity of designing a salak seed grinder to make salak <br> coffee. The solosi is used to improve the processing of salak coffee.
DOI: 10.34740/kaggle/dsv/4181821
title: COVID Vaccination in World (updated daily)
DOI: 10.5281/zenodo.7064869
title: The coupling of the hydrated proton to its first solvation shell

description: This repository contains tabulated raw data for figures 1, 2, and 4 for the manuscript entitled "The coupling of the hydrated proton to its first solvation shell". Also, all necessary inputs and instructions to reproduce the data are provided.
DOI: 10.15468/dl.nqyg3y
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query: { "and" : [ "ScientificName is Jacquemontia ovalifolia (Choisy) Hallier f.", "HasCoordinate is true" ] } The dataset includes 0 records from 0 constituent datasets:
DOI: 10.5281/zenodo.7060133
title: Data from the stochastic flood study of the Area of Special Flood Risk (ARPSI in Spanish) of Zamora, Spain.

description: The published data are part of the stochastic flood study of the city of Zamora, where the different uncertainties affecting the hydraulic model are considered in order to obtain a series of stochastic maps with important implications for flood risk management. HEC-RAS 2D has been used for the flood study and Python has been used to automate the stochastic analyses and modeling. The data corresponds to:<br> - Model inputs: the basic files to generate the model, the hydraulic model of HEC-RAS 2D and all the data related to the stochastic sampling of the procedure are considered as inputs.<br> - Model Outputs: Outputs are considered to be the results obtained in the different phases of the stochastic analysis (convergence maps, sensitivity maps and stochastic maps).
description: A future scientific paper is being prepared
DOI: 10.5517/ccdc.csd.cc27xllc
title: CCDC 2083063: Experimental Crystal Structure Determination

description: Related Article: Yu-Feng Zhang, Zong-Hui Zhang, Logan Ritter, Han Fang, Qian Wang, Brian Space, Yue-Biao Zhang, Dong-Xu Xue, Junfeng Bai|2021|J.Am.Chem.Soc.|143|12202|doi:10.1021/jacs.1c04946
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.cc28gtk4
title: CCDC 2099616: Experimental Crystal Structure Determination

description: Related Article: Christian Stienen, Julian Grahl, Christoph Wölper, Stephan Schulz, Georg Bendt|2022|RSC Advances|12|22974|doi:10.1039/D2RA01338J
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.