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3,655 results for “Structural data”
Data set "Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra"
<p>This data set accompanies the publication "Structural Dependence of Extended Amide III Vibrations in Two-Dimensional Infrared Spectra" by Julia Brüggemann, Maria Chekmeneva, Mario Wolter, and Christoph R. Jacob (TU Braunschweig, Germany)</p> <p>It contains the following files:</p> <p>Directory 01_structures:</p> <p> - xyz files of all considered molecular structures.</p> <p>Directory 02_2d-ir_data_and_code:</p> <p> - updated version of the code of calculating 2D-IR spectra, initially published in DOI: 10.5281/zenodo.7328312, which can be used to obtain the 2D-IR spectra shown in the publication and its supporting information.</p>
Raw data repository for the article: "Revealing the impact of polystyrene-functionalization of Au octahedral nanocrystals of different sizes on formation and structure of mesocrystals"
<p>Raw data depository for the article in ChemNanoMat journal: <a href="https://doi.org/10.1002/cnma.202300336">DOI: 10.1002/cnma.202300336</a>. Details and the file description are given in the file "Lapkin_Dataset_Info.pdf"</p>
Raw Data for: "Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances"
<p>This repository contains all the raw data to reproduce the manuscript:</p> <p>D. Schwalbe-Koda et al. "Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances". arXiv:2307.10935 (2023)</p> <p>The raw data should be used in combination with the code hosted on GitHub: <a href="https://github.com/dskoda/Zeolites-AMD">https://github.com/dskoda/Zeolites-AMD</a>.</p> <p><strong>Description of the data</strong></p> <p>The data in this link contains all necessary information to reproduce the manuscript. In combination with the code hosted on GitHub, it can be visualized and analyzed accordingly. The full description on the columns and results is available on the GitHub code.<br> The data files in this repository are:</p> <p>- `hparams_rnd_*.json`: results of the hyperparameter optimization of all classifiers studied in this work. The data was produced by randomly sampling the train-validation-test sets. In some cases, the data was normalized (`_norm_`), and the train set was kept `balanced` or `unbalanced`.<br> - `hyp_dm`: distance matrix of all hypothetical zeolites towards the known zeolites<br> - `hyp_predictions`: predictions of the synthesis conditions for all hypothetical zeolites<br> - `xgb_ensembles*`: pickle files containing the serialized ensemble models used in the evaluation of the data in this work. The models can be loaded with the `xgboost` Python package.</p> <p><strong>License</strong></p> <p>The data and all the content from this repository is distributed under the Creative Commons Attribution 4.0 (CC-BY 4.0)</p> <p>This work was produced under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.</p> <p>Dataset released as: LLNL-MI-854709.</p>
The N-terminal executioner domains of NLR immune receptors are structurally and functionally conserved across major plant lineages: Extended Data
<p>Raw data and supporting files for an updated version of the manuscript now entitled "The N-terminal executioner domains of NLR immune receptors are structurally and functionally conserved across major plant lineages".</p> <p>Related to an original version of the bioRxiv preprint: https://www.biorxiv.org/content/10.1101/2022.10.19.512840v1 </p>
Data from: Ocean deoxygenation caused non-linear responses in the structure and functioning of benthic ecosystems
<p><span>The O<sub>2 </sub>content of the global ocean has been declining progressively over the past decades, mainly because of human activities and global warming. Nevertheless, how long-term deoxygenation affects macrobenthic communities, sediment biogeochemistry and their mutual feedback remains poorly understood. Here, we evaluate the response of the benthic assemblages and biogeochemical functioning to decreasing O<sub>2 </sub>concentrations along the persistent bottom-water dissolved O<sub>2</sub> gradient of the Estuary and Gulf of St. Lawrence (QC, Canada). We report several of non-linear biodiversity and functional responses to decreasing O<sub>2</sub> concentrations, and identify an O<sub>2</sub> threshold that occurs at approximately at 63 µM. Below this threshold, macrobenthic community assemblages change, and bioturbation rates drastically decrease to near zero. Consequently, the sequence of electron acceptors used to metabolize the sedimentary organic matter is squeezed towards the sediment surface while reduced compounds accumulate closer (as much as 0.5 to 2.5 cm depending on the compound) to the sediment-water interface. Our results illustrate the capacity of bioturbating species to compensate for the biogeochemical consequences of hypoxia and can help to predict future changes in benthic ecosystems.</span></p>
Data From: Dynamic environments generate geographic fluctuations in population structure of an inland shorebird
<p>Data From: Dynamic environments generate geographic fluctuations in population structure of an inland shorebird. Table S2: δ2H values in breast feathers sampled from 352 pre-fledged young mountain plovers from across the breeding range used for isoscape calibration. The table provides the latitude and longitude coordinates for each δ2H feather sample. </p>
Supplementary Data for "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation"
<p>Supplementary data for publication "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation".</p><p>Includes:</p><ul><li>All input structures used in the the retrospective benchmark dataset as well as the (at most) 5 best scoring output models.</li><li>Input structures and output models for IFD-MD predictions of SSTR2, SSTR4, and SSTR5 complexes.</li><li>Output FEP+ maps (in fmp format) for SSTR2, SSTR4, and SSTR5 best models (representative runs shown in publication).</li></ul>
Additional raw data for: Structure and assembly of a bacterial gasdermin pore
<p>This repository is an addition to 10.5281/zenodo.7828403. Both contain raw data and code related to "Structure and assembly of a bacterial gasdermin pore" by Johnson et al.</p><p>Included here are additional simulation files of membrane bound deltaCTD monomers and dimers at elevated temperature and circular and elliptical models of 52mer <i>Vitiosangium</i> bGSDM pores. Trajectories are subsampled with one frame every nanosecond. </p><p>Contact information:<br>Name: Stefan L. Schaefer<br>Institution: Department of Theoretical Biophysics, Max Planck Institute of Biophysics<br>Address: Max-von-Laue-Str. 3, 60438 Frankfurt am Main, Germany<br>Email: stefan.schaefer@biophys.mpg.de</p>
Supplementary data for "DNATCO v5.0: Integrated Web Platform for 3D Nucleic Acid Structure Analysis"
<p>Supplementary data for "DNATCO: efficient and accurate analysis of nucleic acid structures"</p> <p>The data in "dnatco.datmos.org_1ehz_4qvi_5hix.zip" contains the DNATCO-annotated extended mmCIF files, full validation reports and NtC-specific restraint files for the three example PDB structures (1ehz, 4qvi, and 5hix) is deposited.</p> <p>A snapshot of the core structure processing library source code from the https://github.com/cernylab/libLLKA repository is included in the "libLLKA-main.zip" file.</p> <p>The fully offline multi-platform CLI version of the dnatco.datmos.org using Node.js is provided in the "dnatco.zip" file</p>
Data from: Flowering overlap and floral trait similarity help explain the structure of pollination network
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Data from: Fine-tuning the nested structure of pollination networks by adaptive interaction switching, biogeography and sampling effect in the Galápagos Islands
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Data from: Population genomics reveal deep divergence and strong geographical structuring in the Hengduan Mountains
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Data from: Structural diversity shifts from negative to positive associations with forest productivity via basal area, stand age, and precipitation thresholds
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Data from: Management actions shape dung beetle community structure and functional traits in restored tallgrass prairie
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Data from: Assessing behavioral associations in a hybrid zone through social network analysis: complex assortative behaviors structure associations in a hybrid quail population
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Data from: 'ILSM': A package to analyze the interconnection structure of tripartite interaction networks
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Data from: Investigating the spatial, demographic, and genetic structures of Cylicodiscus gabunensis Harms, a light-demanding African timber species
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Data from: Population structure, genetic connectivity, and adaptation in the Olympia oyster (Ostrea lurida) along the west coast of North America
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Data from: Does biological intimacy shape ecological network structure? A test using a brood pollination mutualism on continental and oceanic islands
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Data for: A structure-based mechanism for displacement of the HEXIM adapter from 7SK small nuclear RNA
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.