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131
datasets available to search
ShareScore release 0.9.0
Dataset results
131 results for “Molecular docking”
Effect of Terpenes from Poria Cocos: Verification of Therapeutic Modes of Action for Alzheimer’s Disease using Molecular Docking, Drug-induced Transcriptomes and Diffusion Network
GEO Series GSE232862. Homo sapiens. 18 samples. Type: Expression profiling by high throughput sequencing.
Identification of immune-related genes and small-molecule drugs in hypertension-induced left ventricular hypertrophy based on machine learning algorithms and molecular docking [2]
GEO Series GSE261275. Mus musculus. 8 samples. Type: Expression profiling by high throughput sequencing.
Identification and Validation of Small Molecule Inhibitors Targeting FGFR through Molecular Docking-Based Screening
GEO Series GSE267868. Homo sapiens. 8 samples. Type: Expression profiling by high throughput sequencing.
Data for: Molecular docking simulation of FMP or N-FMP and FAPα
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Molecular Docking Files
<p>These are molecular docking Files.</p>
Fig. 1 in Serratene triterpenoids from Lycopodium cernuum L. as α-glucosidase inhibitors: Identification, structure-activity relationship and molecular docking studies
Fig. 1. Compounds (1–18) isolated from L. cernuum.
Fig. 2 in Study of two isoforms of lipoxygenase by kinetic assays, docking and molecular dynamics of a specialised metabolite isolated from the aerial portion of Lithrea caustica (Anacardiaceae) and its synthetic analogs
Fig. 2. Formation of tropylium ion with two phenolic –OH groups.
Fig. 3 in Study of two isoforms of lipoxygenase by kinetic assays, docking and molecular dynamics of a specialised metabolite isolated from the aerial portion of Lithrea caustica (Anacardiaceae) and its synthetic analogs
Fig. 3. (Z)-3-(pentadec-10′-enyl)-catechol structure.
Supplementary molecular docking and dynamics data of poxin inhibitors of mpox
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Phytochemicals from AYUSH-64 screened against main protease and spike protein of Omicron variant of SARS-CoV-2 using ensemble docking and molecular dynamics approach
<p>Data for "Phytochemicals from AYUSH-64 screened against main protease and spike protein of Omicron variant of SARS-CoV-2 using ensemble docking and molecular dynamics approach" </p>
Identification of Potential DNA Gyrase Inhibitors: Virtual Screening, Extra-Precision Docking and Molecular Dynamics Simulation Study
<p>These are the data generated during the research. All these data will be linked to the entitled work, which will be published as a research article.</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.