cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3751320
title: All Atom Molecular Dynamics Simulations of Lopinavir at the Binding Pocket of SARS-CoV2 Main Protease

description: Data includes all of the trajectories (2000) of classical all-atom molecular dynamics (MD) simulations of lopinavir at the binding pocket of SARS-CoV2 main protease target. In order to decrease the size of the file only protein and ligand trajectories were provided. Simulation has been performed with Desmond. Protein–ligand complexes were obtained by Glide/SP docking program. Complex was placed in the cubic boxes with explicit TIP3P water models that have 10.0 Å thickness from surfaces of protein. The system is neutralized by adding counter ions, and salt solution of 0.15M NaCl was also used to adjust the concentration of the systems. The long-range electrostatic interactions were calculated by the particle mesh Ewald method. A cutoff<br> radius of 9.0 Å was used for both van der Waals and Coulombic interactions. The temperature was set as 310K initially, and Nose–Hoover thermostat was used for adjustment. Martyna–Tobias–Klein protocol was employed to control the pressure, which was set at 1.01325 bar. The time-step was assigned as 2.0 fs. The default values were used for minimization and equilibration steps, and finally 500 ns production run was performed for the simulations.
description: for more information: durdagilab.com; serdardurdagi@gmail.com
DOI: 10.21227/xh60-r411
title: Testing Mailchimp Rule

description: Hello World
DOI: 10.21227/zb42-sb67
title: Testing Mailchimp Rule

description: Hello World
DOI: 10.5281/zenodo.3445338
title: An epigenetic map of Plasmodium gene expression during its developmental transition from host to vector

description: bam data sets for the study published under https://rdcu.be/b3y5X
DOI: 10.5281/zenodo.3445339
title: An epigenetic map of Plasmodium gene expression during its developmental transition from host to vector

description: bam data sets for the study published under https://rdcu.be/b3y5X
DOI: 10.17632/hj6bn5dc87.6
title: Data for: New hydroperoxylated and 20,24-epoxylated dammarane triterpenes from the rot roots of Panax notoginseng

description: The raw 1D and 2D NMR data of new compounds 1-7
DOI: 10.25387/g3.12115857
title: Supplemental Material for Boone et al., 2020

description: <b>Table S1 Primers for strain construction and confirmation. </b>Primers for DJ-PCR-based fluorescent tagging were designed as previously described (Hammond <i>et al</i>. 2011b). The center DJ-PCR fragment for <i>nup120-mCherry</i> tagging was obtained from plasmid pEB1.1, which is similar to pTH1112.8 except that <i>mCherry</i> (Castro-Longoria <i>et al</i>. 2010) is present instead of <i>yfpn</i>. The center DJ-PCR fragment for <i>yfpn-cbp20</i> and <i>yfpn-sad-8</i> tagging was obtained from plasmid pNTYN-2, which is similar to pTH1123.1 except that <i>nat1</i> (Lichius and Read 2010) is present instead of <i>hph</i>.
DOI: 10.25387/g3.12115857.v1
title: Supplemental Material for Boone et al., 2020

description: <b>Table S1 Primers for strain construction and confirmation. </b>Primers for DJ-PCR-based fluorescent tagging were designed as previously described (Hammond <i>et al</i>. 2011b). The center DJ-PCR fragment for <i>nup120-mCherry</i> tagging was obtained from plasmid pEB1.1, which is similar to pTH1112.8 except that <i>mCherry</i> (Castro-Longoria <i>et al</i>. 2010) is present instead of <i>yfpn</i>. The center DJ-PCR fragment for <i>yfpn-cbp20</i> and <i>yfpn-sad-8</i> tagging was obtained from plasmid pNTYN-2, which is similar to pTH1123.1 except that <i>nat1</i> (Lichius and Read 2010) is present instead of <i>hph</i>.
DOI: 10.17632/gy3f7kdpdz.2
title: Data for: International spillovers of quantitative easing

description: Datasets and codes replicating the results in "International spillovers of quantitative easing".
DOI: 10.17632/wsbt3spbbc.1
title: Exploring perspectives on COVID-19 risk, protective behavior and control measures

description: This study aimed to assess the perspectives of the people towards COVID-19, especially concerning the risk of the disease, adherence to protective measures, and the effectiveness of the imposed prevention and control measures. This explorative study was based on Q-methodology and was conducted in Erbil, Iraqi Kurdistan Region. The study involved a purposively selected sample of 40 persons that rank ordered 41 statements on a distribution of 9 scales from least agree to most agree.
DOI: 10.6073/pasta/c17fcc2ba0f9212938b2b5f6161615d8
title: Assessing Plant Phenological Character Displacement Across the Eastern United States Since 1895

description: Reproductive character displacement has long been hypothesized to be a key determinant of speciation and co-existence in flowering plants. A central tenet of this hypothesis is that reproductive traits of close relatives growing in sympatry diverge more than they do where close relatives do not grow together. However, this idea remains untested across taxa and at large spatial scales. Here, we use data collected from tens of thousands of herbarium specimens to examine evidence for character displacement in flowering time for 91 closely-related pairs of animal-pollinated angiosperm species in the eastern USA. We see no evidence for overall phenological divergence in sympatry across regions, clades, or life histories. Rather our results indicate widespread convergence of flowering times in sympatry for species pairs that generally tend to flower close in time. We also find that climate change could alter the nature of these convergent flowering events by shifting them further apart in a majority species pair comparisons. Specifically, congeneric species in New England and the Atlantic Coastal Plain are projected to flower 2–4 days further apart, on average, by the mid-21st century as warming temperatures drive species-specific phenological shifts within genera. This may have significant consequences for species interactions and gene flow, especially if current sympatric convergence in flowering times has resulted from facilitative interactions between species.
DOI: 10.5281/zenodo.3751577
title: Sunny Hours in Rodaun 2020-01 until 2020-04

description: This data shows the results of my analysis of raw data captured by a control unit of a solar thermal collector system in Rodaun, Vienna.
DOI: 10.5281/zenodo.3751578
title: Sunny Hours in Rodaun 2020-01 until 2020-04

description: This data shows the results of my analysis of raw data captured by a control unit of a solar thermal collector system in Rodaun, Vienna.
DOI: 10.17632/nc2dgty6x9.1
title: Major factors influencing rearfoot external eversion moment during barefoot walking

description: The purpose of this study, is to determine the factors that substantially influence the magnitude of rearfoot external eversion moment during the stance phase of walking. Twenty-nine healthy adult men participated in this study. The foot motion during the support phase was collected by the motion capture system (Vicon Motion Systems, Oxford, UK) at 500 Hz, and the force platform data (Type 9281E; Kistler Instruments, Winterthur, Switzerland) were collected at 1000 Hz. Participants were asked to walk barefoot along the walkway and across the force platform. The resultant moment vector acting on the ankle joint center was computed using the cross product of the vector from the ankle joint center to the center of pressure (COP) and the vector of the ground reaction force (GRF). From the moment vector, the parallel component to the longitudinal foot axis (heel to toe) was computed as the anatomically relevant total rearfoot external inversion/eversion moment due to the GRF (Mtot). The Mtot was decomposed into the moment components derived from the mediolateral GRF (Mml) and from the vertical GRF (Mv). The Mml and Mv moment components were then decomposed into each force and moment arm. For Mml, the mediolateral GRF (Fml) was the force, and the height of the ankle joint center (aH) was the moment arm. For Mv, the vertical GRF (Fv) was the force and the medio-lateral distance of the COP relative to the ankle joint center in the transverse plane (aCOPml) was the moment arm. To visualize moment changes, we first normalized the data of each participant with the entire support phase as 100% (101 points). The ensemble change of all participants was obtained as the average waveform of each participant. The average values of each moment component, force, and moment arm in Phase I and Phase II for each participant were calculated (Phase I was defined until 10% of the support phase and Phase II was defined from 10% to 60% of the support phase). To investigate the relationship between force and moment and between moment arm and moment within each moment component, correlation analyses between Fml and Mml, aH and Mml, Fv and Mv, and aCOPml and Mv were conducted for each phase. Rearfoot eversion moment was dominated by the external moment due to the mediolateral component of GRF during Phase I, and then the external moment due to the vertical component of GRF came to dominate the rearfoot eversion moment during Phase II (sheet normalized_Mtot,Mml,Mv). Correlation analysis revealed that Fml was strongly correlated with Mml, and also aCOPml was strongly correlated with Mv in both phases (sheet various parameters). We found that the magnitude of mediolateral GRF strongly associated with the rearfoot external eversion moment just after foot contact. During the subsequent phase, we found that the lateral distance of the COP relative to the ankle joint center strongly associated with the rearfoot external eversion moment.
DOI: 10.5281/zenodo.3751545
title: BridgeDb: Human and SARS-related corona virus gene/protein mapping database derived from Wikidata

description: Gene/Protein mappings for human and SARS-related corona viruses. Data is derived from Wikidata. Mappings from Wikidata to NCBI Gene, RefSeq and UniProt are provided in the .bridge file. 163 Wikidata (Wd) identifiers 69 NCBI Gene (L) identifiers 55 RefSeq (Q) identifiers 59 UniProt (S) identifiers Virus name was added as attribute ("virus") to Wikidata Xrefs.
description: License: Creative Commons CC0
DOI: 10.5519/qd.jmp0meps
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5281/zenodo.3733981
title: Evaluation of a customized variable-resolution global model and its application for high-resolution weather forecasts in East Asia

description: The data for shallow water test for the paper "Evaluation of a customized variable-resolution global model and its application for high-resolution weather forecasts in East Asia" are in the two sw[2,5]_GlobalIntegrals.tar.bz2 files. The data of MPAS model output is stored as Demo data of the CPAS cloud platform with Jupyter visualization tools and user interface. Please see "How-to-visualize-MPAS-model-data.pdf" on how to use it.
DOI: 10.5281/zenodo.3733982
title: Evaluation of a customized variable-resolution global model and its application for high-resolution weather forecasts in East Asia

description: The data for shallow water test for the paper "Evaluation of a customized variable-resolution global model and its application for high-resolution weather forecasts in East Asia" are in the two sw[2,5]_GlobalIntegrals.tar.bz2 files. The data of MPAS model output is stored as Demo data of the CPAS cloud platform with Jupyter visualization tools and user interface. Please see "How-to-visualize-MPAS-model-data.pdf" on how to use it.
DOI: 10.17632/fps449dzxz.1
title: Medical clowns data

description: Data from: patients in haemek hospital, health care managers, Medical clowns
DOI: 10.5281/zenodo.3751572
title: Dataset from: Experimental Evidence for Algebraic Double-Layer Forces

description: The dataset from the publication "Experimental Evidence for Algebraic Double-Layer Forces". DOI: 10.1021/acs.langmuir.9b03077 Files contain x and y data for the figures in the publication in the ASCII format.
DOI: 10.5281/zenodo.3751571
title: Dataset from: Experimental Evidence for Algebraic Double-Layer Forces

description: The dataset from the publication "Experimental Evidence for Algebraic Double-Layer Forces". DOI: 10.1021/acs.langmuir.9b03077 Files contain x and y data for the figures in the publication in the ASCII format.
DOI: 10.17632/wxtbwyjnfd.4
title: DATASET: Adaptation and psychometric propierties of the Italian version of Pro-Environmental Behaviours Scale (PEBS)

description: CFA_I-PEBS: dataset for confirmatory factor analysis and reliability of Italian version of Pro-Environmental-Behaviour Scale testRetest_convergent_VALIDITY_I-PEBS: dataset for test-Retest and convergent validity of the I-PEBS
DOI: 10.5281/zenodo.3751558
title: Acetaldehyde Dataset

description: This data set was used to examine isomerization (to vinylalcohol, VA)<br> and decomposition reactions (to either CO+CH4 or H2+H2CCO) of<br> acetaldehyde (AA) relevant to atmospheric processes. Therefor, the data<br> is used to train a neural network which serves as a fully dimensional,<br> reactive potential energy surface and is used to run molecular dynamics<br> simulations. The data set contains different geometries for the mentioned molecules<br> and complexes as well as for some substructures (Amons [1]). In total the data set contains 432'399 geometries with reference<br> energies, forces and dipole moments calculated at the MP2/aug-cc-pVTZ<br> level of theory calculated using the MOLPRO [2]. For more details, see https://arxiv.org/abs/2003.08171 [1] Huang, B.; von Lilienfeld, O.A., arXiv:1707.04146 [2] Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; et al.<br> https://www.molpro.net
DOI: 10.5281/zenodo.3751559
title: Acetaldehyde Dataset

description: This data set was used to examine isomerization (to vinylalcohol, VA)<br> and decomposition reactions (to either CO+CH4 or H2+H2CCO) of<br> acetaldehyde (AA) relevant to atmospheric processes. Therefor, the data<br> is used to train a neural network which serves as a fully dimensional,<br> reactive potential energy surface and is used to run molecular dynamics<br> simulations. The data set contains different geometries for the mentioned molecules<br> and complexes as well as for some substructures (Amons [1]). In total the data set contains 432'399 geometries with reference<br> energies, forces and dipole moments calculated at the MP2/aug-cc-pVTZ<br> level of theory calculated using the MOLPRO [2]. For more details, see https://arxiv.org/abs/2003.08171 [1] Huang, B.; von Lilienfeld, O.A., arXiv:1707.04146 [2] Werner, H.-J.; Knowles, P. J.; Knizia, G.; Manby, F. R.; Schütz, M.; et al.<br> https://www.molpro.net
DOI: 10.5281/zenodo.3751620
title: reservoir stimulation in granite

description: Date about reservoir stimulation in granite
DOI: 10.15468/vh66vh
title: A New Species of Semicytherura (Crustacea: Ostracoda: Cytheroidea) from Obitsu River Estuary (Central Japan) and Its Microhabitat

description: This dataset contains the digitized treatments in Plazi based on the original journal article Nakao, Yuriko, Tsukagoshi, Akira (2020): A New Species of Semicytherura (Crustacea: Ostracoda: Cytheroidea) from Obitsu River Estuary (Central Japan) and Its Microhabitat. Species Diversity 25: 1-9, DOI: 10.12782/specdiv.25.1
DOI: 10.17632/dcpst33wc7.1
title: Data for Rosenzopf et al. Mapping the human praxis network: an investigation of white matter disconnection in limb apraxia

description: Data for Rosenzopf et al. - Mapping the human praxis network: an investigation of white matter disconnection in limb apraxia (working title) Data include topographies, analysis scripts, and full results of the SVR-FA-mapping analysis The archive can be extracted with 7zip freeware (https://www.7-zip.de) Topographies can be viewed with MRIcron freeware (https://www.nitrc.org/projects/mricron)
DOI: 10.5066/p9xbvlpv
title: Datasets for Characterization of Water-Quality and Bed-Sediment Conditions in Currituck Sound, North Carolina, 2011-18

description: The U.S. Geological Survey, in cooperation with the North Carolina Turnpike Authority, conducted a study to establish baseline water-quality conditions and bed-sediment chemistry in Currituck Sound, North Carolina, prior to construction of the Mid-Currituck Bridge. This Data Release contains the associated data described in the Open-File Report, "Characterization of Water-Quality and Bed-Sediment Conditions in Currituck Sound, North Carolina, Prior to the Mid-Currituck Bridge Construction, 2011-18". These datasets contain information on analytical constituents measured in samples, surface-water environmental and quality-assurance sample results, bed-sediment environmental and quality-assurance sample results, phytoplankton taxonomy data, and water-velocity measurement results. Data were collected from August 2011 to January 2018 at five sites distributed along the planned alignment of the Mid-Currituck Bridge in Currituck Sound, North Carolina.
DOI: 10.17632/2j7sksfh2h.2
title: Taking stock of climate policies
DOI: 10.17632/kyybyk9zfn.1
title: The data on the characteristics of Plan Elements for Public Space in Guanlu Ancient Villages in China

description: The data includes "The calculation result of PEPS diagrams" and "Data of spatial behavior type".
DOI: 10.17632/274xbhc5rx.1
title: Tumour Infiltrating Lymphocytes in Follicular Lymphoma
DOI: 10.17632/pxgfn2jcf7.1
title: Data for: IMPACT OF SARS-CoV-2 AND ITS REVERBERATION IN THE GLOBAL HIGHER EDUCATION SYSTEM AND MENTAL HEALTH
DOI: 10.15468/2wmsnr
title: Two New Species of Composetia (Annelida: Nereididae) from Small Estuaries in the Ryukyu Islands, Southern Japan, with a List of All Species Currently Belonging to Composetia

description: This dataset contains the digitized treatments in Plazi based on the original journal article Sato, Masanori (2020): Two New Species of Composetia (Annelida: Nereididae) from Small Estuaries in the Ryukyu Islands, Southern Japan, with a List of All Species Currently Belonging to Composetia. Species Diversity 25: 11-24, DOI: 10.12782/specdiv.25.11
DOI: 10.17632/nrkkp4sbc9.1
title: Animal based observations of calves exposed to VTEC O157:H7

description: rawdata_ind_obs contains all individual observations that were used for imputing missing values. ipmuted_ind_obs_selected_by_pos_pens includes imputed observations of individuals housed in pens where colonised animal was identified.
DOI: 10.15468/9exsfs
title: A new species of Cyrtodactylus (Squamata, Gekkonidae) from Cambodia's Prey Lang Wildlife Sanctuary

description: This dataset contains the digitized treatments in Plazi based on the original journal article Neang, Thy, Henson, Adam, Stuart, Bryan L. (2020): A new species of Cyrtodactylus (Squamata, Gekkonidae) from Cambodia's Prey Lang Wildlife Sanctuary. ZooKeys 926: 133-158, DOI: http://dx.doi.org/10.3897/zookeys.926.48671, URL: http://dx.doi.org/10.3897/zookeys.926.48671
DOI: 10.15468/d2nn5y
title: On Aethiopomyia Malloch (Diptera, Muscidae) with the revision of the type specimens deposited in the Museum fuer Naturkunde, Berlin (Germany) with a key to species

description: This dataset contains the digitized treatments in Plazi based on the original journal article de Sousa, Viviane Rodrigues, Pereira, Andre Fontinelle Magalhaes, Couri, Marcia Souto (2020): On Aethiopomyia Malloch (Diptera, Muscidae) with the revision of the type specimens deposited in the Museum fuer Naturkunde, Berlin (Germany) with a key to species. ZooKeys 926: 73-80, DOI: http://dx.doi.org/10.3897/zookeysw.926.49210, URL: http://dx.doi.org/10.3897/zookeysw.926.49210
DOI: 10.15468/dxntrj
title: A new species of rake-legged mite, Caeculus cassiopeiae (Prostigmata, Caeculidae), from Canada and a systematic analysis of its genus

description: This dataset contains the digitized treatments in Plazi based on the original journal article Bernard, Jared, Lumley, Lisa M., Buck, Matthias, Cobb, Tyler P. (2020): A new species of rake-legged mite, Caeculus cassiopeiae (Prostigmata, Caeculidae), from Canada and a systematic analysis of its genus. ZooKeys 926: 1-23, DOI: http://dx.doi.org/10.3897/zookeys.926.48741, URL: http://dx.doi.org/10.3897/zookeys.926.48741
DOI: 10.17632/8j6bjfc2m5.1
title: Supplementary tables for JAAD-D-20-00456R1 Cutaneous adverse reactions to anti-PD-1 treatment – a systematic review

description: Supplementary tables S1 and S2 for JAAD-D-20-00456R1 Cutaneous adverse reactions to anti-PD-1 treatment – a systematic review
DOI: 10.15468/6wsy32
title: A new species of hagfish, Eptatretus wandoensis sp. nov. (Agnatha, Myxinidae), from the southwestern Sea of Korea

description: This dataset contains the digitized treatments in Plazi based on the original journal article Song, Young Sun, Kim, Jin-Koo (2020): A new species of hagfish, Eptatretus wandoensis sp. nov. (Agnatha, Myxinidae), from the southwestern Sea of Korea. ZooKeys 926: 81-94, DOI: http://dx.doi.org/10.3897/zookeys.926.48745, URL: http://dx.doi.org/10.3897/zookeys.926.48745
DOI: 10.15468/949574
title: Painted black: Iguana melanoderma (Reptilia, Squamata, Iguanidae) a new melanistic endemic species from Saba and Montserrat islands (Lesser Antilles)

description: This dataset contains the digitized treatments in Plazi based on the original journal article Breuil, Michel, Schikorski, David, Vuillaume, Barbara, Krauss, Ulrike, Morton, Matthew N., Corry, Elizabeth, Bech, Nicolas, Jelic, Misel, Grandjean, Frederic (2020): Painted black: Iguana melanoderma (Reptilia, Squamata, Iguanidae) a new melanistic endemic species from Saba and Montserrat islands (Lesser Antilles). ZooKeys 926: 95-131, DOI: http://dx.doi.org/10.3897/zookeys.926.48679, URL: http://dx.doi.org/10.3897/zookeys.926.48679
DOI: 10.15468/dtzhkz
title: Review of the Bobekia - group (Braconidae, Alysiinae, Alysiini), with description of a new genus and a new subgenus

description: This dataset contains the digitized treatments in Plazi based on the original journal article Zhang, Ruo-Nan, Achterberg, Cornelis van, Tian, Xiao-Xia, Tan, Jiang-Li (2020): Review of the Bobekia - group (Braconidae, Alysiinae, Alysiini), with description of a new genus and a new subgenus. ZooKeys 926: 25-51, DOI: http://dx.doi.org/10.3897/zookeys.926.47270, URL: http://dx.doi.org/10.3897/zookeys.926.47270
DOI: 10.15468/jqc44c
title: Redescriptions of two parasitoids, Metapelma beijingense Yang (Hymenoptera, Eupelmidae) and Spathius ochus Nixon (Hymenoptera, Braconidae), parasitizing Coraebus cavifrons Descarpentries & Villiers (Coleoptera, Buprestidae) in China with keys to genera or species groups

description: This dataset contains the digitized treatments in Plazi based on the original journal article Cao, Liang Ming, Achterberg, Cornelis van, Tang, Yan Long, Yang, Zhong Qi, Wang, Xiao Yi, Cao, Tian Wen (2020): Redescriptions of two parasitoids, Metapelma beijingense Yang (Hymenoptera, Eupelmidae) and Spathius ochus Nixon (Hymenoptera, Braconidae), parasitizing Coraebus cavifrons Descarpentries & Villiers (Coleoptera, Buprestidae) in China with keys to genera or species groups. ZooKeys 926: 53-72, DOI: http://dx.doi.org/10.3897/zookeys.926.48688, URL: http://dx.doi.org/10.3897/zookeys.926.48688
DOI: 10.15468/vj6a47
title: Revised Diagnosis of the Rare Clingfish Kopua nuimata (Gobiesocidae) with Notes on Fresh Coloration and First Australian Record

description: This dataset contains the digitized treatments in Plazi based on the original journal article Fujiwara, Kyoji, Motomura, Hiroyuki (2020): Revised Diagnosis of the Rare Clingfish Kopua nuimata (Gobiesocidae) with Notes on Fresh Coloration and First Australian Record. Species Diversity 25: 49-54, DOI: 10.12782/specdiv.25.49
DOI: 10.17632/9zsc8gtyy7.1
title: Grain Size Data Mudbelts

description: Grain size data from the mudbelts project
DOI: 10.17632/2r7sbwv3sk.1
title: Local governments role in supporting livestock manure management behaviour and its effects on policiy development and environmental sustainability in Turkey

description: SEM Analysis for the original TBP model