cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.7270/q22v2m76
title: BindingDB Entry 11475: PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF USE

description: Small molecule binding data for protein Egl nine homolog 1, Prolyl hydroxylase EGLN2, and Prolyl hydroxylase EGLN3, Uniprot Q96KS0, Q9GZT9, and Q9H6Z9
DOI: 10.7270/q26m3bzh
title: BindingDB Entry 11474: INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS

description: Small molecule binding data for protein Integrin alpha-V/beta-6, Uniprot P06756 and P18564
DOI: 10.7270/q2hm5dkz
title: BindingDB Entry 11549: Open science discovery of potent noncovalent SARS-CoV-2 main protease inhibitors.

description: Small molecule binding data for protein Replicase polyprotein 1ab, Uniprot A0A679G4D8, A0A6B9V049, A0A6B9VP19, A0A6V7ALW7, and P0DTD1
DOI: 10.7270/q2nc65b4
title: BindingDB Entry 11548: NEUROACTIVE STEROIDS AND THEIR METHODS OF USE

description: Small molecule binding data for protein Gamma-aminobutyric acid receptor subunit beta-1
DOI: 10.7270/q2s46x3x
title: BindingDB Entry 11547: ARYL PHOSPHOROUS OXIDE COMPOUNDS AND USE THEREOF

description: Small molecule binding data for protein ALK tyrosine kinase receptor/Echinoderm microtubule-associated protein-like 4, Epidermal growth factor receptor, Epidermal growth factor receptor [1-18,20-1210,C797S], Epidermal growth factor receptor [1-18,20-1210,T790M], Epidermal growth factor receptor [1-18,20-1210], Epidermal growth factor receptor [L858R,C797S], Epidermal growth factor receptor [L858R,T790M,C797S], Epidermal growth factor receptor [T790M,L858R], and egfr-c797s/ t790m/del19, Uniprot P00533, Q9HC35, and Q9UM73
DOI: 10.7270/q2ws8zdm
title: BindingDB Entry 11546: CDK9 INHIBITORS

description: Small molecule binding data for protein Cyclin-T1/Cyclin-dependent kinase 9, Uniprot O60563 and P50750
DOI: 10.7270/q21j9fxb
title: BindingDB Entry 11545: PYRAZOLOPYRIDAZINONE COMPOUND, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF

description: Small molecule binding data for protein Mitogen-activated protein kinase kinase kinase kinase 1, Uniprot Q92918
DOI: 10.7270/q25b06m5
title: BindingDB Entry 11544: IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS

description: Small molecule binding data for protein GTPase KRas [G12C,C51S,C80L,C118S]
DOI: 10.7270/q2930z92
title: BindingDB Entry 11543: HETEROAROMATIC RING COMPOUND AS RET KINASE INHIBITOR, AND PREPARATION AND USE THEREOF

description: Small molecule binding data for protein Coiled-coil domain-containing protein 6/Proto-oncogene tyrosine-protein kinase receptor Ret, Potassium voltage-gated channel subfamily H member 2, Proto-oncogene tyrosine-protein kinase receptor Ret, Proto-oncogene tyrosine-protein kinase receptor Ret [M918T], Proto-oncogene tyrosine-protein kinase receptor Ret [V804M], and Vascular endothelial growth factor receptor 2, Uniprot A0A090N8Q0, P07949, P35968, Q12809, and Q16204
DOI: 10.7270/q2dv1q1g
title: BindingDB Entry 11542: ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF

description: Small molecule binding data for protein Casein kinase I isoform alpha, Epidermal growth factor receptor, and csnk1d, Uniprot P00533, P48729, and P48730
DOI: 10.7270/q2jm2fs7
title: BindingDB Entry 11541: FUSED IMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF

description: Small molecule binding data for protein Potassium voltage-gated channel subfamily H member 2, Uniprot A0A090N8Q0 and Q12809
DOI: 10.7270/q2pc36hz
title: BindingDB Entry 11540: OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF

description: Small molecule binding data for protein Histone deacetylase 6 and Histone deacetylase 8, Uniprot Q9BY41 and Q9UBN7
DOI: 10.7270/q2t157sh
title: BindingDB Entry 11539: FUSED TRICYCLIC DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF

description: Small molecule binding data for protein Beta-2 adrenergic receptor, Muscarinic acetylcholine receptor M2, and Muscarinic acetylcholine receptor M3, Uniprot P07550, P08172, and P20309
DOI: 10.7270/q2xs60hx
title: BindingDB Entry 11538: TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS

description: Small molecule binding data for protein Poly [ADP-ribose] polymerase tankyrase-2, Uniprot Q9H2K2
DOI: 10.7270/q22j6h07
title: BindingDB Entry 11537: BROAD SPECTRUM ANTI-CANCER COMPOUNDS

description: Small molecule binding data for protein Alpha-ketoglutarate-dependent dioxygenase FTO, RNA demethylase ALKBH5, YTH domain-containing family protein 1, and YTH domain-containing family protein 2, Uniprot Q6P6C2, Q9BYJ9, Q9C0B1, and Q9Y5A9
DOI: 10.7270/q26977qj
title: BindingDB Entry 11536: NOVEL BIARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF

description: Small molecule binding data for protein Diacylglycerol O-acyltransferase 2, Uniprot Q96PD7
DOI: 10.7270/q2b280f8
title: BindingDB Entry 11535: UNIT DOSAGE COMPOSITION OF AKT INHIBITOR

description: Small molecule binding data for protein RAC-alpha serine/threonine-protein kinase, RAC-beta serine/threonine-protein kinase, and RAC-gamma serine/threonine-protein kinase, Uniprot P31749, P31751, and Q9Y243
DOI: 10.7270/q2ft8r6r
title: BindingDB Entry 11534: COMBINATION THERAPY

description: Small molecule binding data for protein Cyclin-dependent kinase 2/G1/S-specific cyclin-E1, Cyclin-dependent kinase 4/G1/S-specific cyclin-D1, and Cyclin-dependent kinase 6/G1/S-specific cyclin-D3, Uniprot P11802, P24385, P24864, P24941, P30281, and Q00534
DOI: 10.34740/kaggle/dsv/7085837
title: Full TMDB Movies Dataset 2023 (930K Movies)
DOI: 10.5517/ccdc.csd.cc2f5yrb
title: CCDC 2240052: Experimental Crystal Structure Determination

description: Related Article: Kazuyoshi Takimoto, Takumi Shimada, Kazuhiko Nagura, Jonathan P. Hill, Takashi Nakanishi, Hidetaka Yuge, Shinsuke Ishihara, Jan Labuta, Hisako Sato|2023|J.Am.Chem.Soc.|145|25160|doi:10.1021/jacs.3c05866
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.cc2ff6vy
title: CCDC 2247030: Experimental Crystal Structure Determination

description: Related Article: Mengru Wang, Zhifang Shi, Chengbin Fei, Zhewen J. D. Deng, Guang Yang, Sean P. Dunfield, David P. Fenning, Jinsong Huang|2023|Nature Energy|8|1229|doi:10.1038/s41560-023-01362-0
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.cc2ff7vz
title: CCDC 2247061: Experimental Crystal Structure Determination

description: Related Article: Kuluni Perera, Wenting Wu, Kaelon A. Jenkins, Michael F. Espenship, Matthias Zeller, Liyan You, Mustafa Ahmed, Kai Lang, Guangchao Liu, Jagrity Chaudhary, Ashkan Abtahi, Dylan Forbes, Julia Laskin, Brett M. Savoie, Jianguo Mei|2023|Chem.Mater.|35|9135|doi:10.1021/acs.chemmater.3c01854
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.cc2ff7w0
title: CCDC 2247062: Experimental Crystal Structure Determination

description: Related Article: Kuluni Perera, Wenting Wu, Kaelon A. Jenkins, Michael F. Espenship, Matthias Zeller, Liyan You, Mustafa Ahmed, Kai Lang, Guangchao Liu, Jagrity Chaudhary, Ashkan Abtahi, Dylan Forbes, Julia Laskin, Brett M. Savoie, Jianguo Mei|2023|Chem.Mater.|35|9135|doi:10.1021/acs.chemmater.3c01854
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.cc2ff7sx
title: CCDC 2247059: Experimental Crystal Structure Determination

description: Related Article: Kuluni Perera, Wenting Wu, Kaelon A. Jenkins, Michael F. Espenship, Matthias Zeller, Liyan You, Mustafa Ahmed, Kai Lang, Guangchao Liu, Jagrity Chaudhary, Ashkan Abtahi, Dylan Forbes, Julia Laskin, Brett M. Savoie, Jianguo Mei|2023|Chem.Mater.|35|9135|doi:10.1021/acs.chemmater.3c01854
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.cc2ff7ty
title: CCDC 2247060: Experimental Crystal Structure Determination

description: Related Article: Kuluni Perera, Wenting Wu, Kaelon A. Jenkins, Michael F. Espenship, Matthias Zeller, Liyan You, Mustafa Ahmed, Kai Lang, Guangchao Liu, Jagrity Chaudhary, Ashkan Abtahi, Dylan Forbes, Julia Laskin, Brett M. Savoie, Jianguo Mei|2023|Chem.Mater.|35|9135|doi:10.1021/acs.chemmater.3c01854
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.cc2ff7rw
title: CCDC 2247058: Experimental Crystal Structure Determination

description: Related Article: Kuluni Perera, Wenting Wu, Kaelon A. Jenkins, Michael F. Espenship, Matthias Zeller, Liyan You, Mustafa Ahmed, Kai Lang, Guangchao Liu, Jagrity Chaudhary, Ashkan Abtahi, Dylan Forbes, Julia Laskin, Brett M. Savoie, Jianguo Mei|2023|Chem.Mater.|35|9135|doi:10.1021/acs.chemmater.3c01854
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.cc2fzdrl
title: CCDC 2263550: Experimental Crystal Structure Determination

description: Related Article: Hongliang Zhao, Chao-Yue Zhao, Lili Chen, Chungu Xia, Xin Hong, Senmiao Xu|2023|J.Am.Chem.Soc.|145|25214|doi:10.1021/jacs.3c08129
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.cc2fzdsm
title: CCDC 2263551: Experimental Crystal Structure Determination

description: Related Article: Hongliang Zhao, Chao-Yue Zhao, Lili Chen, Chungu Xia, Xin Hong, Senmiao Xu|2023|J.Am.Chem.Soc.|145|25214|doi:10.1021/jacs.3c08129
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.cc2g12g2
title: CCDC 2265153: Experimental Crystal Structure Determination

description: Related Article: Joan Serra, Mercè Font-Bardia, Albert Escuer, Júlia Mayans|2023|Inorg.Chem.|62|18804|doi:10.1021/acs.inorgchem.3c02265
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.cc2g15pd
title: CCDC 2265253: Experimental Crystal Structure Determination

description: Related Article: Alexander Grasruck, Giorgio Parla, Lisha Lou, Jens Langer, Christian Neiß, Alberto Herrera, Sybille Frieß, Andreas Görling, Günter Schmid, Romano Dorta|2023|Chem.Commun.|59|13879|doi:10.1039/D3CC03033D
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.cc2g15qf
title: CCDC 2265254: Experimental Crystal Structure Determination

description: Related Article: Alexander Grasruck, Giorgio Parla, Lisha Lou, Jens Langer, Christian Neiß, Alberto Herrera, Sybille Frieß, Andreas Görling, Günter Schmid, Romano Dorta|2023|Chem.Commun.|59|13879|doi:10.1039/D3CC03033D
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.10223535
title: Neisseria gonorrhoeae IMRS Data
title: Underlying data
DOI: 10.5281/zenodo.10223536
title: Neisseria gonorrhoeae IMRS Data
title: Underlying data
DOI: 10.13020/cng1-fb88
title: Data for Catalytic Resonance Theory: Circumfluence of Programmable Catalytic Loops

description: Chemical reactions on heterogeneous catalyst surfaces exhibit complex networks of elementary reactions with multiple pathways to fluid phase products, sometimes leading to surface reaction loops consisting of a closed cycle reaction pathway. While conventional catalysts at steady state exhibit zero net flux in either direction around a catalytic loop, the loop turnover frequency of three-species surface loops was evaluated in this work via microkinetic modeling to assess the reaction loop behavior resulting from a catalytic surface oscillating between two or more surface energy states. For dynamic heterogeneous catalysts undergoing applied oscillations of surface energy (i.e., programs), surface reaction loops of three species were shown to exhibit non-zero net flow of molecules around the loop, with the extent of loop turnover frequency varying with the applied frequency and amplitude of a sinusoidal or square wave oscillation. Alternatively, some dynamic surface reactions exhibited oscillations only between two surface species or resulted in surfaces covered by a single species at all times. More complex behavior was observed for dynamic surface programs of three distinct electronic states, with the temporal order of applied states controlling the direction of flow of molecules within a three-molecule surface loop. Catalytic loops have the potential to limit overall catalytic reaction rates and use energy in programmable catalysts, while some applications could purposely impose non-zero loop turnover frequency for improved surface reaction control.
description: Scripts written in Julia 1.9.0 and all relevant data files included for the case studies including in Catalytic Resonance Theory: Circumfluence of Programmable Catalytic Loops. Batch scripts used to submit the files to run through the Minnesota Supercomputing Institute's slurm workload manager are also included.
DOI: 10.6084/m9.figshare.24668724
title: <b>Insight into the impact of viruses on biogeochemical processes in agricultural soils</b>

description: <b>Insight into the impact of viruses on biogeochemical processes in agricultural soils</b>
DOI: 10.6084/m9.figshare.24668724.v1
title: <b>Insight into the impact of viruses on biogeochemical processes in agricultural soils</b>

description: <b>Insight into the impact of viruses on biogeochemical processes in agricultural soils</b>
DOI: 10.3886/e195221v1
title: College student civic engagement

description: Project investigates campus civic engagement and education efforts and association with student registration and voting on a small, comprehensive liberal arts based university in the Midwest. Quantitative data includes undergraduate surveys disseminated in 2016 and 2020 in the context of presidential elections. Participants in 2016 only included members of student sororities and fraternities, while 2020 surveys were sent to all undergraduates. Qualitative data included follow up, semi-structured interviews with a randomly chosen subsample of survey participants.
description: Response Rates: 38.8% for 2016 data (of enrolled undergraduates who were members of sororities or fraternities)<br><br>16.7% for 2020 data (of all enrolled undergraduates in fall 2020)<br>
description: Sampling information for 2016 data available in following publication:<br> Kumler, Lori M. and Brianna Whittaker. 2020. “Using campus presidential debate watch events to nudge: Enlisting reference group leaders and incentives in the quest for increasing student political participation and efficacy.” Journal of Political Science Education, 16(2), 176-197.<br>Sampling for 2020 data:Surveys emailed to all enrolled undergraduate students in fall 2020 (1,952). Of those, 326 took the survey.<br>
description: Enrolled undergraduate students who were members of sororities or fraternities at a Midwestern university in fall 2016; enrolled undergraduate students at a Midwestern university in fall 2020.
description: other; Surveys collected electronically.
DOI: 10.6084/m9.figshare.24668802
title: Table A1.1

description: Genome sizes and DNA concentrations used to produce two synthetic metagenomes, “Mix-51-equal” and “Mix-51 staggered”, and to spike these into sponge metagenome “FL20-9”.
DOI: 10.6084/m9.figshare.24668802.v1
title: Table A1.1

description: Genome sizes and DNA concentrations used to produce two synthetic metagenomes, “Mix-51-equal” and “Mix-51 staggered”, and to spike these into sponge metagenome “FL20-9”.
DOI: 10.6084/m9.figshare.24668844
title: Table A1.9

description: F1 for each binning program in the Mix-51 datasets as determined by alignments to known reference genomes using metaQUAST (Mikheenko et al., 2016).
DOI: 10.6084/m9.figshare.24668844.v1
title: Table A1.9

description: F1 for each binning program in the Mix-51 datasets as determined by alignments to known reference genomes using metaQUAST (Mikheenko et al., 2016).
DOI: 10.6084/m9.figshare.24668835
title: Table A1.8

description: Assembly statistics for all 51 input genomes in the five Mix-51 assemblies. Contigs in assemblies were identified as belonging to one of the 51 reference genomes with MetaQUAST, and the identified contigs were assessed separately for each respective genome for assembly quality
DOI: 10.6084/m9.figshare.24668835.v1
title: Table A1.8

description: Assembly statistics for all 51 input genomes in the five Mix-51 assemblies. Contigs in assemblies were identified as belonging to one of the 51 reference genomes with MetaQUAST, and the identified contigs were assessed separately for each respective genome for assembly quality
DOI: 10.6084/m9.figshare.24668832
title: Table A1.7

description: Length-weighted coverages and percent genome coverages for the genomes of 51 human gut microbiome bacteria in Mix-51 datasets.
DOI: 10.6084/m9.figshare.24668832.v1
title: Table A1.7

description: Length-weighted coverages and percent genome coverages for the genomes of 51 human gut microbiome bacteria in Mix-51 datasets.
DOI: 10.5281/zenodo.10223596
title: Generative deep learning for hydrological forecasting: CVAE-75 basins from CANOPEX_v1

description: Data associated with https://doi.org/10.1016/j.jhydrol.2023.130498
DOI: 10.5281/zenodo.10223595
title: Generative deep learning for hydrological forecasting: CVAE-75 basins from CANOPEX_v1

description: Data associated with https://doi.org/10.1016/j.jhydrol.2023.130498
DOI: 10.6084/m9.figshare.24668817.v1
title: Table A1.2

description: Summary and accession information for all NCBI reference genomes used in the simulated Illumina sequencing for this study.
DOI: 10.6084/m9.figshare.24668817
title: Table A1.2

description: Summary and accession information for all NCBI reference genomes used in the simulated Illumina sequencing for this study.
DOI: 10.5281/zenodo.8143877
title: Database for article: "Privacy Perceptions in Digital Games: A Study with IT Undergraduates"

description: This database is an addendum to the article "Privacy Perceptions in Digital Games: A Study with IT Undergraduates" to provide information regarding the anonymously collected data. Abstract of the article This study explores the perceptions and practices of undergraduates in Information Technology (IT) regarding privacy issues in digital games. This topic becomes relevant in the current scenario where artificial intelligence (AI) is increasingly integrated into digital games, providing an enhanced experience for players. However, this integration poses security and privacy challenges, the understanding of which is crucial for both players and developers.<br> The primary objective of this research is to comprehend the participants' perceptions and understandings of privacy in digital games. We employed a qualitative and quantitative methodology to address our research inquiries. Through an online form of data collection, we obtained 61 responses. Among the obtained information, we observed that 40\% of the students are interested in pursuing a career in game development, and 50\% would consider this possibility. Noteworthy among the identified issues is the necessity for companies to devise more effective means of communicating their privacy policies to players/users, adapting the language to their target audience. Participants reported attacks related to online multiplayer games and expressed concerns about the security of personal data.