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2 results for “computer-aided drug discovery”
Workshop Material - 3D-e-Chem Structural Cheminformatics Workflows for Computer-Aided Drug Discovery
<p>The workshop at the KNIME user meeting (Berlin 9th of March 2018) is set up to stimulate participants with varying degrees of experience in cheminformatics to learn and apply the different structural cheminformatics tools and workflows developed within the context of the 3D-e-Chem project. You will learn how to construct and apply integrated cheminformatics workflows using the 3D-e-Chem KNIME nodes for the exploitation of G protein-coupled receptor and kinase data (two important pharmaceutical target classes) to obtain useful information for drug discovery.</p> <p>Information on the 3D-e-Chem KNIME nodes and workflows can be found online:</p> <p>3D-e-Chem GitHub website: <a href="http://3d-e-chem.github.io/">http://3d-e-chem.github.io/</a></p>
Identification of Sclareol As a Natural Neuroprotective Cav1.3-Antagonist Using Synthetic Parkinson-Mimetic Gene Circuits and Computer-Aided Drug Discovery
<p>Data underlying the figures in the publication “Identification of Sclareol As a Natural Neuroprotective Ca<sub>v</sub>1.3-Antagonist Using Synthetic Parkinson-Mimetic Gene Circuits and Computer-Aided Drug Discovery”, published in <em>Adv. Sci.,</em> <strong>2022</strong>, 9, 2102855.</p> <p><a href="https://doi.org/10.1002/advs.202102855">https://doi.org/10.1002/advs.202102855</a></p> <p>Table of contents:</p> <p><strong>1. Figure 1-3.xlsx</strong>: Source data for <em>Figures 1-3</em>.</p> <p><strong>2. Figure 4-5</strong>: Source data for <em>Figures 4-5</em>.</p> <p><strong>3. Figure1-3.zip</strong>: .zip archive containing the raw data of <em>Figures 1-3 </em>in <em>.pzfx</em> format.</p> <p><strong>4. Movie S1,2</strong>: Movie s1 and S2.</p>
ScienceDex guides
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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.