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Dataset results
691 results for “Molecular dynamics”
Introduction to HPC: molecular dynamics simulations with GROMACS: output files - Devana
<p> Introduction to HPC: molecular dynamics simulations with GROMACS: log files corresponding to the exercises 1.1, 1.2 2.1 3.1 and 3.2</p>
Molecular dynamics trajectory for liquid aluminum
<p>This record provides a molecular dynamics trajectory for liquid aluminum generated via <a href="https://www.lammps.org/">lammps</a> using the input files included in this record (main.in, Al99.eam.alloy). This trajectory is used in one of the examples that demonstrate the functionality of the <a href="https://dynasor.materialsmodeling.org">dynasor package</a>.</p>
Electrofreezing of liquid water at ambient conditions - trajectories from ab initio molecular dynamics simulations
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Molecular dynamics trajectory for crystalline aluminum
<p>This record provides a molecular dynamics trajectory for crystalline aluminum generated via <a href="https://www.lammps.org/">lammps</a> using the input files included in this record (main.in, Al99.eam.alloy). This trajectory is used in one of the examples that demonstrate the functionality of the <a href="https://dynasor.materialsmodeling.org">dynasor package</a>.</p>
Molecular Dynamics Analysis of Fibroblast Activation Protein (FAP) and Dipeptidyl Peptidase IV (DPP-IV) Complexes with Known Inhibitors
<p>MD Input and Trajectories associated with the Manuscript entitled “Solving the Fibroblast Activation Protein (FAP) Conundrum: An in Depth In Silico Analysis Suggests Key Roles for Ala657 and Tyr541 in Endopeptidase Activity and Ligand Selectivity” </p>
Temperature-Dependent Dynamics of Molecular Dopant in Conjugated Polymer
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Data from: All-atom molecular dynamics simulation and rate calculation for norepinephrine binding beta adrenergic receptor
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Data from: Molecular and cellular dynamics of the developing human neocortex
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Data from: Salty Sensors, Fresh Ideas: The use of molecular and imaging sensors in understanding plankton dynamics across marine and freshwater ecosystems
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Data from: Synthesis, antimicrobial evaluation, ADMET prediction, molecular docking and dynamics studies of pyridine and thiophene moieties containing chalcones
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Data from: programming co-assembled peptide nanofiber morphology via anionic amino acid type: insights from molecular dynamics simulations
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Synthetic eco-evolutionary dynamics in simple molecular environment
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Data from: Mapping serotonergic dynamics using drug-modulated molecular connectivity
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Molecular Dynamics Simulations and associated data for: Mechanistic and evolutionary insights into isoform-specific 'supercharging' in DCLK family kinases
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Molecular mechanism underlying SNARE-mediated membrane fusion enlightened by all-atom molecular dynamics simulations
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A lever hypothesis for Synaptotagmin-1 action in neurotransmitter release and Studies of Synaptotagmin-1 action by all-atom molecular dynamics simulations
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Reconstruction of marimo population dynamics over 200 years using molecular markers and fossil plankton remains
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All-atom molecular dynamics simulations of synaptic vesicle fusion I: a glimpse at the primed Synaptotagmin-SNARE-complexin complex
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Dynamic metabolic and molecular changes during seasonal shrinking in <em>Sorex araneus</em>
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An Omni-Mesoscope for multiscale high-throughput quantitative phase imaging of cellular dynamics and high-content molecular characterization
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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.