cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.19898424.v1
title: Matlab codes for generating the figures in the main text, as well as those in the supplement from The transition between acute and chronic infections in light of energy control: a mathematical model of energy flow in response to infection

description: Background: Different parts of an organism like the gut, or the endocrine, nervous and immune systems constantly exchange information. Understanding the pathogenesis of various systemic chronic diseases increasingly relies on understanding how these subsystems orchestrate their activities. Methods: We started from the working hypothesis that energy is a fundamental quantity that governs activity levels of all subsystems and that interactions between subsystems control the distribution of energy according to acute needs. Based on physiological knowledge, we constructed a mathematical model for the energy flow between subsystems and analysed the resulting organismal responses to <i>in silico</i> infections. Results: The model reproduces common behaviour in acute infections and suggests several host parameters that modulate infection duration and therapeutic responsiveness. Moreover, the model allows the formulation of conditions for the induction of chronic infections and predicts that alterations in energy release from fat can lead to the transition from clearance of acute infections to a chronic inflammatory state. Impact: These results suggest a fundamental role for brain and fat in controlling immune response through systemic energy control. In particular, it suggests that lipolysis resistance, which is known to be involved in obesity and ageing, might be a survival program for coping with chronic infections.
DOI: 10.34740/kaggle/dsv/3818128
title: Dubai License Plate Listed Prices
DOI: 10.5281/zenodo.6618938
title: Amyloid-beta 16-22 peptide dimer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 2)

description: MD simulations of the Amyloid-beta 16-22 dimer at 0 mM NaCl concentration with CHARMM-Drude force field and OpenMM. Initial structure is obtained from CHARMM-GUI. In the initial configuration, two amyloid-beta 16-22 monomers are not interacting. This repository contains the second out of three independent runs. All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
DOI: 10.5281/zenodo.6618937
title: Amyloid-beta 16-22 peptide dimer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 2)

description: MD simulations of the Amyloid-beta 16-22 dimer at 0 mM NaCl concentration with CHARMM-Drude force field and OpenMM. Initial structure is obtained from CHARMM-GUI. In the initial configuration, two amyloid-beta 16-22 monomers are not interacting. This repository contains the second out of three independent runs. All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
DOI: 10.5281/zenodo.6618940
title: Amyloid-beta 16-22 peptide dimer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 3)

description: MD simulations of the Amyloid-beta 16-22 dimer at 0 mM NaCl concentration with CHARMM-Drude force field and OpenMM. Initial structure is obtained from CHARMM-GUI. In the initial configuration, two amyloid-beta 16-22 monomers are not interacting. This repository contains the third out of three independent runs. All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
DOI: 10.5281/zenodo.6618939
title: Amyloid-beta 16-22 peptide dimer simulation (without salt) with the CHARMM-Drude force field and OpenMM (Run 3)

description: MD simulations of the Amyloid-beta 16-22 dimer at 0 mM NaCl concentration with CHARMM-Drude force field and OpenMM. Initial structure is obtained from CHARMM-GUI. In the initial configuration, two amyloid-beta 16-22 monomers are not interacting. This repository contains the third out of three independent runs. All the simulation parameters and force field files are uploaded into this repository. Simulations are done with OpenMM v. 7.5.1.
DOI: 10.5281/zenodo.6655746
title: Supplementary Data: OpenCOVID model output underlaying Figures 1 and 2 of "Modelling the impact of Omicron and emerging variants on SARS-CoV-2 transmission and public health burden"

description: Supplementary data files <strong>Figure_1.xlsx</strong> and <strong>Figure_2.xlsx</strong> contain the model simulation outcomes for Figures 1 and 2 of Le Rutte, Shattock <em>et al</em> "<strong>Modelling the impact of Omicron and emerging variants on SARS-CoV-2 transmission and public health burden</strong>" (2022) <strong>Figure 1</strong>: Peak daily hospital occupancy (number of beds per 100,000 population over the six-month simulation period) for three variant properties; infectivity (relative to Delta), immune evading capacity (%), and severity (relative to Delta)<br> <strong>Figure 2</strong>: Percentage of COVID-19 infections and deaths averted by third-dose vaccines for adults and vaccinating 5-11-year-olds with doses one and two.<br> Open access source-codes of the associated plotting functions are published here on Zenodo.<br> Open access source-codes for the OpenCOVID model of all analyses as presented in Le Rutte, Shattock <em>et al.</em> (2022) are publicly available at https://github.com/SwissTPH/OpenCOVID/tree/manuscript_december_2021/src.<br> Detailed model descriptions and model equations of individual-based transmission model <strong>OpenCOVID</strong> are described in Shattock <em>et al</em>. (2022) and Le Rutte, Shattock <em>et al.</em> (2022).
description: {"references": ["Epke A Le Rutte, Andrew J Shattock, Nakul Chitnis, Sherrie L Kelly, Melissa A Penny, The potential impact of Omicron and future variants of concern on SARS-CoV-2 transmission dynamics and public health burden: a modelling study. medRxiv 2021.12.12.21267673; doi: https://doi.org/10.1101/2021.12.12.21267673"]}
DOI: 10.5281/zenodo.6655745
title: Supplementary Data: OpenCOVID model output underlaying Figures 1 and 2 of "Modelling the impact of Omicron and emerging variants on SARS-CoV-2 transmission and public health burden"

description: Supplementary data files <strong>Figure_1.xlsx</strong> and <strong>Figure_2.xlsx</strong> contain the model simulation outcomes for Figures 1 and 2 of Le Rutte, Shattock <em>et al</em> "<strong>Modelling the impact of Omicron and emerging variants on SARS-CoV-2 transmission and public health burden</strong>" (2022) <strong>Figure 1</strong>: Peak daily hospital occupancy (number of beds per 100,000 population over the six-month simulation period) for three variant properties; infectivity (relative to Delta), immune evading capacity (%), and severity (relative to Delta)<br> <strong>Figure 2</strong>: Percentage of COVID-19 infections and deaths averted by third-dose vaccines for adults and vaccinating 5-11-year-olds with doses one and two.<br> Open access source-codes of the associated plotting functions are published here on Zenodo.<br> Open access source-codes for the OpenCOVID model of all analyses as presented in Le Rutte, Shattock <em>et al.</em> (2022) are publicly available at https://github.com/SwissTPH/OpenCOVID/tree/manuscript_december_2021/src.<br> Detailed model descriptions and model equations of individual-based transmission model <strong>OpenCOVID</strong> are described in Shattock <em>et al</em>. (2022) and Le Rutte, Shattock <em>et al.</em> (2022).
description: {"references": ["Epke A Le Rutte, Andrew J Shattock, Nakul Chitnis, Sherrie L Kelly, Melissa A Penny, The potential impact of Omicron and future variants of concern on SARS-CoV-2 transmission dynamics and public health burden: a modelling study. medRxiv 2021.12.12.21267673; doi: https://doi.org/10.1101/2021.12.12.21267673"]}
DOI: 10.18112/openneuro.ds004152.v1.1.0
title: Drum Trainer
DOI: 10.6084/m9.figshare.20087693
title: Socio-Economic Development of Asian Russia - datasets for Novosibirsk region

description: The datasets are in MID/MIF formats to be processed in QGIS with use of self-written open source software. The datasets are used to model single or multiple socio-economic scenarios of regional spatial development and to build graded suitability maps. <br> The datasets contain: <br> - the 10x10 km grid, topographic layers (navigable rivers, railways, paved roads, settlements, and river ports), and semantic description of each unit area of the Novosibirsk region; - thematic maps (accessibility maps) on navigational rivers, paved roads, railways, river ports, and settlements. <br>
DOI: 10.15129/4a7c2b95-42d0-4d53-bd4e-fc98f1ac2cf0
title: Data for: "Robustness testing of two impedance estimation techniques in weak grids"

description: This data supports the IET conference paper titled above. This data was produced whilst simulating two impedance estimators. It is in the form of a time series (.mat). The data made available is: - The time series data of all online impedance estimation testing. - The MATLAB file used to generate the data presented in the "Results" section tables. - A READ_ME text file is also provided in order to provide the necessary instructions.
DOI: 10.15151/esrf-es-774880543
title: Cryo-electron microscopy EPN BAG

description: At the EPN campus level structural biology work is carried out in all the 4 institutes (IBS, ESRF, ILL and EMBL). Today all structural biology groups are turning to cryo-EM. The EM demand is therefore extremely high and present in the 4 Institutes. In a nutshell, there are 42 PIs that could benefit from Krios time on the EPN campus (more than 90 different samples). Around 20 % of the sample are ready for high resolution data collection with already prepared grids that have been pre-screened on Glacios microscopes. Whereas some work could be carried out on Glacios microscopes, for difficult samples the use of a krios is indispensable (heterogeneous sample or limited concentration requiring a large number of images; small protein etc). Only these samples will be selected for Krios time at the BAG level.
DOI: 10.5281/zenodo.6655871
title: Dataset of simulations of SmartDeZIgn

description: This table contains the results of simulations of SmartDeZIgn project. More analytically: Structural characteristics for each ZIF of our dataset the were used as descriptors to train Machine Learning models. Moreover, calculated diffusivities, solubilities and permeabilities of He, H2, O2, CO2, N2, CH4, ethylene, ethane, propylene, propane, n-butane and iso-butane in each of the ZIFs of the dataset
DOI: 10.5281/zenodo.6655870
title: Dataset of simulations of SmartDeZIgn

description: This table contains the results of simulations of SmartDeZIgn project. More analytically: Structural characteristics for each ZIF of our dataset the were used as descriptors to train Machine Learning models. Moreover, calculated diffusivities, solubilities and permeabilities of He, H2, O2, CO2, N2, CH4, ethylene, ethane, propylene, propane, n-butane and iso-butane in each of the ZIFs of the dataset
DOI: 10.5281/zenodo.6655855
title: WACCM-X Fe ions

description: This is the hourly WACCM-X Fe+ profile in Feb/July at 65-505km sampled over 80S/80N used for Christon et al. paper entitled "Measurement of ~180 keV Fe+ in the Ring Current/Plasmasphere Boundary". For the WACCM-X (version 2_1_3) with three metals (Fe, Na, Mg), please cite:<br> Wu, J., Feng, W., Liu, H.-L., Xue, X., Marsh, D. R., and Plane, J. M. C.:<br> Self-consistent global transport of metallic ions with WACCM-X, Atmos. Chem. Phys., 21,<br> 15619-15630, https://doi.org/10.5194/acp-21-15619-2021, 2021.
DOI: 10.5281/zenodo.6655854
title: WACCM-X Fe ions

description: This is the hourly WACCM-X Fe+ profile in Feb/July at 65-505km sampled over 80S/80N used for Christon et al. paper entitled "Measurement of ~180 keV Fe+ in the Ring Current/Plasmasphere Boundary". For the WACCM-X (version 2_1_3) with three metals (Fe, Na, Mg), please cite:<br> Wu, J., Feng, W., Liu, H.-L., Xue, X., Marsh, D. R., and Plane, J. M. C.:<br> Self-consistent global transport of metallic ions with WACCM-X, Atmos. Chem. Phys., 21,<br> 15619-15630, https://doi.org/10.5194/acp-21-15619-2021, 2021.
DOI: 10.15468/dl.zbexfu
title: Occurrence Download

description: A dataset containing 52664 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Orchis simia Lam."
 ]
}

 The dataset includes 52664 records from 480 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066460-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4dqrny
title: Occurrence Download

description: A dataset containing 213 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Papaver macrostomum Boiss. & A.Huet ex Boiss."
 ]
}

 The dataset includes 213 records from 41 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066490-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vbhd78
title: Occurrence Download

description: A dataset containing 46 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oxalis disticha Jacq."
 ]
}

 The dataset includes 46 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066491-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pv4gps
title: Occurrence Download

description: A dataset containing 90 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Osteospermum herbaceum L.fil."
 ]
}

 The dataset includes 90 records from 19 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066492-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.q4n73c
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Paeonia sandrae Camarda"
 ]
}

 The dataset includes 7 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066493-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.whrvmp
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Papaver mairei Batt."
 ]
}

 The dataset includes 21 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066494-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h5gyxn
title: Occurrence Download

description: A dataset containing 119 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oxalis dregei Sond."
 ]
}

 The dataset includes 119 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066495-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fcgngw
title: Occurrence Download

description: A dataset containing 6 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Osteospermum hirsutum Thunb."
 ]
}

 The dataset includes 6 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066496-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cerwwe
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Paeonia saueri D.Y.Hong, Xiao Q.Wang & D.M.Zhang"
 ]
}

 The dataset includes 5 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066497-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ezcn5k
title: Occurrence Download

description: A dataset containing 61 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Orchis sitiaca (Renz) P.Delforge"
 ]
}

 The dataset includes 61 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066498-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cvhg6a
title: Occurrence Download

description: A dataset containing 17 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Papaver malviflorum Doum."
 ]
}

 The dataset includes 17 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066499-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yj8vb5
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oxalis dreyerae Oberl. & Roets"
 ]
}

 The dataset includes 5 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066500-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vxztre
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Osteospermum hispidum Harv."
 ]
}

 The dataset includes 72 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066501-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.tzm7f4
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Paeonia sterniana H.R.Fletcher"
 ]
}

 The dataset includes 34 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066502-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.10899795
title: Charge-4e and Charge-6e Flux Quantization and Higher Charge Superconductivity in Kagome Superconductor Ring Devices
DOI: 10.15468/dl.ac93wu
title: Occurrence Download

description: A dataset containing 230750 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pastinaca sativa L."
 ]
}

 The dataset includes 230750 records from 1744 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0066488-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.7270/q22f7pjt
title: BindingDB Entry 50040315: Trypsin resistance of a decapeptide KISS1R agonist containing an N¿-methylarginine substitution.

description: Small molecule binding data for protein G-protein Coupled Receptor 54, Uniprot Q969F8
DOI: 10.7270/q23b614g
title: BindingDB Entry 50039313: Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds.

description: Small molecule binding data for protein Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1), Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3), Lethal(3)malignant brain tumor-like protein 4, and MBT domain-containing protein 1 (MBTD1), Uniprot Q05BQ5, Q8NA19, and Q96JM7
DOI: 10.7270/q25t3mcz
title: BindingDB Entry 50038375: Phenylalanine-containing hydroxamic acids as selective inhibitors of class IIb histone deacetylases (HDACs).

description: Small molecule binding data for protein Histone deacetylase and Histone deacetylase 1, Uniprot A0A024QZ26, Q13547, Q4QQW4, and Q9UBN7
DOI: 10.7270/q2668f90
title: BindingDB Entry 50040314: Substrate-like water soluble lipase inhibitors from Filipendula kamtschatica.

description: Small molecule binding data for protein Pancreatic lipase, Uniprot P00591
DOI: 10.7270/q27082d1
title: BindingDB Entry 50039312: Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}quinazolin-4(3H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome.

description: Small molecule binding data for protein 5-Hydroxytryptamine receptor 6 (5-HT6), 5-Hydroxytryptamine receptor 7 (5-HT7), 5-hydroxytryptamine receptor 1A, Adenosine receptor A1, Adenosine receptor A2a, Adenosine receptor A3, Beta-1 adrenergic receptor, Dopamine D1 and D2 receptor, Dopamine receptor D2L/neurotensin receptor NTS1, HTR4, Histamine H1 receptor, Histamine H2 Receptor, Mu-type opioid receptor, Muscarinic acetylcholine receptor, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor M2, Neurokinin 2 receptor, Neurokinin 3 receptor, Neuropeptide Y receptor type 1, Neuropeptide Y receptor type 2, Serotonin (5-HT) receptor, Serotonin 1B/1D receptor, Serotonin 3 (5-HT3) receptor, Sodium-dependent dopamine transporter, Sodium-dependent noradrenaline transporter, and mu/kappa opioid receptor, Uniprot O70528, P08172, P08588, P08908, P0DMS8, P11229, P14416, P14842, P20309, P21452, P21728, P23975, P25021, P25929, P28564, P29274, P29371, P30542, P34969, P35367, P35372, P41144, P46098, P47898, P49146, P50406, and Q01959
DOI: 10.7270/q29k4c44
title: BindingDB Entry 50038374: N6-substituted C5'-modified adenosines as A1 adenosine receptor agonists.

description: Small molecule binding data for protein Adenosine receptor A1, Uniprot P30542
DOI: 10.7270/q29z960z
title: BindingDB Entry 50040313: Novel amide- and sulfonamide-based aromatic ethanolamines: effects of various substituents on the inhibition of acid and neutral ceramidases.

description: Small molecule binding data for protein Acid ceramidase (AC) and Neutral ceramidase, Uniprot Q13510 and Q9NR71
DOI: 10.7270/q2br8t42
title: BindingDB Entry 50039311: Limited inhibitory effects of oseltamivir and zanamivir on human sialidases.

description: Small molecule binding data for protein Neuraminidase, Neuraminidase A, Sialidase 1, Sialidase 2, Sialidase 3, and Sialidase 4, Uniprot P03468, Q75VQ4, Q8WWR8, Q99519, Q9UQ49, and Q9Y3R4
DOI: 10.7270/q2gh9jx8
title: BindingDB Entry 50039310: Comparative study of the susceptibilities of major epidemic clones of methicillin-resistant Staphylococcus aureus to oxacillin and to the new broad-spectrum cephalosporin ceftobiprole.

description: Small molecule binding data for protein Penicillin binding protein 2'
DOI: 10.7270/q2kd200s
title: BindingDB Entry 50040311: Optimization of an ether series of mGlu5 positive allosteric modulators: molecular determinants of MPEP-site interaction crossover.

description: Small molecule binding data for protein GRM7, GRM8, Metabotropic glutamate receptor, Metabotropic glutamate receptor 1, Metabotropic glutamate receptor 2 (mGluR2), Metabotropic glutamate receptor 4 (mGluR4), Metabotropic glutamate receptor 5, Metabotropic glutamate receptor 6, and metabotropic glutamate 1c, Uniprot O00222, O15303, P31424, P41594, Q13255, Q14416, Q14831, Q14832, and Q14833
DOI: 10.7270/q2m909nj
title: BindingDB Entry 50039309: Synthesis and biological evaluation of [D-lysine]8cyclosporin A analogs as potential anti-HCV agents.

description: Small molecule binding data for protein Cyclophilin A and Cyclophilin B (CypB), Uniprot P23284 and P62937