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691
datasets available to search
ShareScore release 0.7.1
Dataset results
691 results for “Molecular dynamics”
Dynamic modelling of EWS::FLI1 fluctuations reveals molecular determinants of phenotypic tumor plasticity and prognosis in Ewing sarcoma [CUT&RUN]
GEO Series GSE291134. Homo sapiens. 46 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Single cell transcriptomic profiling reveals a dynamic molecular landscape and the importance of ligand-receptor genes and transcription factors during the progression of colorectal cancer
GEO Series GSE261388. Homo sapiens. 10 samples. Type: Expression profiling by high throughput sequencing.
Molecular and epistatic interactions between pioneer transcription factors shape nucleosome dynamics and cell differentiation [ChIP-Seq]
GEO Series GSE269897. Mus musculus. 96 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Multi-omics and immune profiling of breast cancers undergoing neoadjuvant chemotherapy identified dynamic cellular and molecular changes associated with clinical response
GEO Series GSE123845. Homo sapiens. 227 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 [Bis-PCR: dog]
GEO Series GSE86058. Canis lupus familiaris. 48 samples. Type: Methylation profiling by high throughput sequencing.
Dynamic control of metabolic zonation and liver repair by endothelial cell Wnt2 and Wnt9b revealed by single cell spatial transcriptomics using Molecular Cartography
GEO Series GSE199463. Mus musculus. 5 samples. Type: Other.
Dynamic molecular signatures of acute myocardial infarction based on transcriptomics
GEO Series GSE249812. Homo sapiens. 15 samples. Type: Expression profiling by high throughput sequencing.
Single-cell transcriptomics of human iPSC differentiation dynamics reveal a core molecular network of Parkinson’s disease
GEO Series GSE183248. Homo sapiens. 12 samples. Type: Expression profiling by high throughput sequencing.
Transposable elements are dynamically expressed within medium spiny neurons and associated with molecular and behavioral adaptations to cocaine
GEO Series GSE296397. Mus musculus. 12 samples. Type: Expression profiling by high throughput sequencing.
Dynamic modelling of EWS::FLI1 fluctuations reveals molecular determinants of phenotypic tumor plasticity and prognosis in Ewing sarcoma [RNA-seq]
GEO Series GSE291060. Homo sapiens. 164 samples. Type: Expression profiling by high throughput sequencing.
Molecular and epistatic interactions between pioneer transcription factors shape nucleosome dynamics and cell differentiation [MNase-seq]
GEO Series GSE268717. Mus musculus. 18 samples. Type: Genome binding/occupancy profiling by high throughput sequencing.
Multiomics profiling of molecular and cellular dynamics of spinal cord injury in a rat [miRNA-seq]
GEO Series GSE295917. Rattus norvegicus. 43 samples. Type: Non-coding RNA profiling by high throughput sequencing.
Sustained antidepressant effects of ketamine metabolite involve GABAergic inhibition-mediated molecular dynamics in aPVT glutamatergic neurons
GEO Series GSE233226. Mus musculus. 9 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
GEO Series GSE86059. Homo sapiens; Canis lupus familiaris; Macaca mulatta; Mus musculus; Heterocephalus glaber. 84 samples. Type: Methylation profiling by high throughput sequencing; Methylation profiling by genome tiling array.
A1904 molecular dynamics trajectories data
<p>Molecular dynamics (MD) trajectories of water solutions of eight zwitterionic amino-acids (L- form) glycine (GLY), alanine (ALA), proline (PRO), threonine (THR), leucine (LEU), glutamine (GLN), histidine (HIS) and tyrosine (TYR) using various force field (OPLS-AA, Amber99ff-SB, GROMOS96 54a7, CHARMM19) and water model (SPC/E, TIP3P) combinations.</p> <p>OPLS-AA molecular dynamics (MD) trajectories for alanine (ALA), leucine (LEU), glutamine (GLN), and tyrosine (TYR) varying the values of major force field parameters: charge on all amino acid atoms, bond length (all amino acid bonds), Lennard-Jones potential epsilon parameter and stiffness of bond angles. </p>
Additional insights into Key Determinants for Adenosine 1 Receptor Antagonists Selectivity using Supervised Molecular Dynamics Simulations
<p>Adenosine receptors (ARs), like many other G protein-coupled receptors (GPCRs), are targets of primary interest in drug design. However, one of the main limits for the development of drugs for this class of GPCRs is the complex selectivity profile usually displayed by ligands. Numerous efforts have been done for clarifying the selectivity on ARs, leading to the development of many ligand-based models. The structure of the AR subtype A<sub>1</sub> (A<sub>1</sub>AR) has been recently solved, providing important structural insights. In the present work, we rationalized the selectivity profile of two selective A<sub>1</sub>AR and A<sub>2A</sub>AR antagonist investigating their recognition trajectories obtained by Supervised Molecular Dynamics from unbound state and monitoring the role of the water molecules in the binding site.</p>
Figure 3 from: Shoman ME, Abd El-Hafeez AA, Khobrani M, Assiri AA, Al Thagfan SS, Othman EM, Ibrahim ARN (2022) Molecular docking and dynamic simulations study for repurposing of multitarget coumarins against SARS-CoV-2 main protease, papain-like protease and RNA-dependent RNA polymerase. Pharmacia 69(1): 211-226. https://doi.org/10.3897/pharmacia.69.e77021
Figure 3 Structure of naturally occurring coumarins 13–37 reported possessing antiviral activity.
Figure 2 from: Shoman ME, Abd El-Hafeez AA, Khobrani M, Assiri AA, Al Thagfan SS, Othman EM, Ibrahim ARN (2022) Molecular docking and dynamic simulations study for repurposing of multitarget coumarins against SARS-CoV-2 main protease, papain-like protease and RNA-dependent RNA polymerase. Pharmacia 69(1): 211-226. https://doi.org/10.3897/pharmacia.69.e77021
Figure 2 Structure of some coumarin drugs 4–13.
Figure 1 from: Shoman ME, Abd El-Hafeez AA, Khobrani M, Assiri AA, Al Thagfan SS, Othman EM, Ibrahim ARN (2022) Molecular docking and dynamic simulations study for repurposing of multitarget coumarins against SARS-CoV-2 main protease, papain-like protease and RNA-dependent RNA polymerase. Pharmacia 69(1): 211-226. https://doi.org/10.3897/pharmacia.69.e77021
Figure 1 Structure of Aminocoumarin antibiotics Novobiocin, Clorobiocin, and Coumermycin.
Effective Molecular Dynamics from Neural-Network Based Structure Prediction Models
<p>Molecular dynamics simulation (61.5 us) data of 28 one- and two-domain proteins from Jussupow & Kaila: Effective Molecular Dynamics from Neural-Network Based Structure Prediction Models</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.