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691
datasets available to search
ShareScore release 0.7.1
Dataset results
691 results for “Molecular dynamics”
Dataset I related to publication: Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations
<p>Dataset related to publication:<em> </em></p> <p><em>Leini, R., Kapp, J., Kopra, K. et al. Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations. Sci Rep <strong>15</strong>, 24843 (2025). https://doi.org/10.1038/s41598-025-07532-2</em></p> <ul> <li>.zip-files contain the raw Desmond trajectories of individual replica simulations of GDC-6036.</li> <li>WaterMap-output file for the representative conformation of GDC-6036.</li> </ul>
Dataset II related to publication: Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations
<p>Dataset related to publication:<em> </em></p> <p>Leini, R., Kapp, J., Kopra, K. <em>et al.</em> Binding modes of the KRAS(G12C) inhibitors GDC-6036 and LY3537982 revealed by all atom molecular dynamics simulations. <em>Sci Rep</em> <strong>15</strong>, 24843 (2025). https://doi.org/10.1038/s41598-025-07532-2</p> <ul> <li>.zip-files contain the raw Desmond trajectories of individual replica simulations of LY3537982.</li> <li>WaterMap-output file for the representative conformation of LY3537982</li> </ul>
Molecular dynamics simulation primer for: Introduction to atomistic modeling and simulation of biomolecular systems
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Data from: Molecular dynamic simulations reveal the structural determinants of fatty acid binding to oxy-myoglobin
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Data from: Molecular dynamics investigation of gluazo, a photo-switchable ligand for the glutamate receptor GluK2
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Data from: Molecular data and distribution dynamics indicate a recent and incomplete separation of manakins species of the genus Antilophia (Aves: Pipridae) in response to Holocene climate change
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Data from: Molecular data and ecological niche modeling reveal population dynamics of widespread shrub Forsythia suspensa (Oleaceae) in China’s warm-temperate zone in response to climate change during the Pleistocene
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Data from: Dynamics of molecular evolution in RNA virus populations depend on sudden versus gradual environmental change
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Simulation trajectories from ab-initio molecular dynamics of 4x4x4 super cell of Li3OCl with 4 Li concentrations
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Data from: Integrating influenza antigenic dynamics with molecular evolution
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Spatiotemporal molecular and cellular dynamics of intratelencephalic neurons in mouse prefrontal cortex during postnatal development
GEO Series GSE298260. Mus musculus. 4 samples. Type: Expression profiling by high throughput sequencing.
The rate of ageing-associated DNA methylation dynamics is a molecular readout of lifespan variation amongst mammalian species [TC1_450k]
GEO Series GSE104216. Homo sapiens; Mus musculus. 6 samples. Type: Methylation profiling by genome tiling array.
Dynamic modelling of EWS::FLI1 fluctuations reveals molecular determinants of phenotypic tumor plasticity and prognosis in Ewing sarcoma [SLAM-seq]
GEO Series GSE291133. Homo sapiens. 12 samples. Type: Other.
Molecular and epistatic interactions between pioneer transcription factors shape nucleosome dynamics and cell differentiation [RNA-seq]
GEO Series GSE267441. Mus musculus. 35 samples. Type: Expression profiling by high throughput sequencing.
Molecular and epistatic interactions between pioneer transcription factors shape nucleosome dynamics and cell differentiation [ATAC-seq]
GEO Series GSE268713. Mus musculus. 20 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Multiomics profiling of molecular and cellular dynamics of spinal cord injury in a rat [mRNA-seq]
GEO Series GSE295957. Rattus norvegicus. 42 samples. Type: Expression profiling by high throughput sequencing.
The p23 molecular chaperone and GCN5 acetylase jointly modulate protein-DNA dynamics and open chromatin status.
GEO Series GSE40255. Saccharomyces cerevisiae. 3 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Dynamic molecular monitoring reveals that SWI/SNF mutations mediate resistance to ibrutinib plus venetoclax in mantle cell lymphoma [ATAC-Seq]
GEO Series GSE122510. Homo sapiens. 2 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Dynamic molecular monitoring reveals that SWI/SNF mutations mediate resistance to ibrutinib plus venetoclax in mantle cell lymphoma [RNA-Seq]
GEO Series GSE122509. Homo sapiens. 12 samples. Type: Expression profiling by high throughput sequencing.
Elucidating the Cellular and Molecular Dynamics of Sebaceous Gland Self-Renewal and Regeneration
GEO Series GSE225252. Mus musculus. 4 samples. Type: Expression profiling by high throughput sequencing.
ScienceDex guides
Understand access before you commit
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.