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289
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ShareScore release 0.9.0
Dataset results
289 results for “Molecular Structures”
Spatio-molecular gene expression reflects dorsal anterior cingulate cortex structure and function in the human brain [snRNA-seq]
GEO Series GSE296731. Homo sapiens. 10 samples. Type: Expression profiling by high throughput sequencing.
Structural and molecular distinctions of secondary and primary spines in the sea urchin Lytechinus variegatus
GEO Series GSE267428. Lytechinus variegatus. 8 samples. Type: Expression profiling by high throughput sequencing.
dataset for "Rapid Prediction of Liquid Structure from a Single Molecular Configuration Using Deep Learning"
<p>The data sets are used to train, validate, and test the PointNet-MD model for rapid prediction of radial distribution functions for different liquids. Details about this work can be found in the <a href="https://pubs.acs.org/doi/10.1021/acs.jcim.3c00472">paper</a> entitled <a href="https://pubs.acs.org/doi/10.1021/acs.jcim.3c00472"><em><span>Rapid Prediction of a Liquid Structure from a Single Molecular Configuration Using Deep Learning</span></em></a>. </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.
Ecophysiological and molecular basis of drought responses in forest trees: the modulating role of canopy structure and light environment
GEO Series GSE208073. Abies pinsapo. 12 samples. Type: Expression profiling by high throughput sequencing.
Structural and molecular basis of the role of starch and sucrose in Streptococcus mutans biofilms development
GEO Series GSE21872. Streptococcus mutans UA159. 8 samples. Type: Expression profiling by array.
Alternatively-spliced isoforms of the cardiac Nav1.5 sodium channel modify channel activation by distinct structural mechanisms - Molecular dynamics results
<p>Output files associated with molecular dynamics simulations of the alternative splice variant of Nav1.5</p>
Data for the manuscript "Identification and structural studies of the crucial RNAi target of SARS-CoV-2 through molecular dynamics simulations"
<p>Simulation datasets for manuscript titled "<strong>Identification and structural studies of the crucial RNAi target of SARS-CoV-2 through molecular dynamics simulations"</strong></p>
Structural distortion of β-cyclodextrin plays a key role for the pH-dependent host-guest chemistry with doxorubicin, evident by electrochemical and molecular dynamics approach
<p>β-cyclodextrin (β-CD) is the potential drug carrier to deliver antitumor drugs like doxorubicin<br> (DOX). However, the mechanism for the inclusion complex formation is still unclear and<br> needs to be explored. This study investigated the effect of pH on the inclusion of DOX into<br> thiolated β-CD (β-CD-SH) by electrochemical and molecular dynamics (MD) simulation.<br> The electrochemical study shows a clear difference at different pH. The redox peak due to the<br> DOX is strongly influenced by pH. At neutral pH, the peak intensity decreases with time,<br> while slight variation is observed at acidic and basic pH. Depicting the association of DOX to<br> the β-CD-SH cavity at neutral pH. Also, due to the association, the charge transfer resistance<br> variation increased with time at neutral pH, decreased at basic and acidic pH. The<br> electrochemical study was further supported by MD simulation, suggesting that the<br> cyclodextrins ring gets slightly elongated due to the flipping of glucose units,<br> specifically at neutral pH leads to a strong association. Also, another significant result<br> observed that the DOX forms an inclusion complex with β-CD-SH in quinol conformation,<br> not in quinone. Briefly, the study provides the necessary molecular binding information for<br> designing an effective β-CD based targeted drug delivery system.</p>
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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.