Find research datasets worth reusing
Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.
10
datasets available to search
ShareScore release 0.9.0
Dataset results
10 results for “CIF”
Supplementary CIF files for "Shedding Light on the Enigmatic TcO2 ⋅ xH2O Structure with Density Functional Theory and EXAFS Spectroscopy"
<p>Optimized geometries from the paper "Shedding Light on the Enigmatic TcO2 ⋅ <em>x</em>H2O Structure with Density Functional Theory and EXAFS Spectroscopy" (<a href="https://doi.org/10.1002/chem.202202235">https://doi.org/10.1002/chem.202202235</a>), provided in CIF format.</p> <p>All structures were fully optimized (lattice vectors and atomic coordinates) using AMS/BAND (<a href="https://www.scm.com/">https://www.scm.com/</a>) with the PBE density functional, scalar relativistic effects (ZORA), and numerical atomic orbitals (NAOs) augmented with a triple-zeta polarized (TZP) set of Slater-type basis functions. For the chains, D3 dispersion corrections were also included.</p> <p> </p>
cif files and VASP files for Li6PS5X crystals and a set of isovalent analogs
<p>This dataset is meant as supplementary material to the research paper titled "The Devil in the Details: Lessons from Li6PS5X for Robust High-Throughput Workflows" authored by Asif Iqbal Bhatti, Sandeep Kumar, Catharina Jaeken, Michael Sluydts, Danny E.P. Vanpoucke and Stefaan Cottenier. At the time of writing this description, the manuscript is under peer review (publication info will be added here once published). </p> <p>The data set contains cif files as well as VASP input and output for all crystals that are being discussed in this paper.</p>
Structural model of PORCN .cif and .pdb files
<p>Wnt signaling is essential for normal development and is a therapeutic target in cancer. The enzyme PORCN, or porcupine, is a membrane-bound O-acyltransferase (MBOAT) that is required for the post-translational modification of all Wnts, adding an essential mono-unsaturated palmitoleic acid to a serine on the tip of Wnt hairpin 2. Inherited mutations in PORCN cause focal dermal hypoplasia, and therapeutic inhibition of PORCN slows the growth of Wnt-dependent cancers. Here, based on homology to mammalian MBOAT proteins we develop and validate a molecular structural model of PORCN. The model accommodates palmitoleoyl-CoA and Wnt hairpin 2 in two tunnels in the conserved catalytic core, shedding light on the catalytic mechanism. The model predicts how previously uncharacterized human variants of uncertain significance can alter PORCN function. Drugs including ETC-159, IWP-L6 and LGK-974 dock in the PORCN catalytic site, providing insights into PORCN pharmacologic inhibition. This structural model provides mechanistic insights into PORCN substrate recognition and catalysis as well as the inhibition of its enzymatic activity and can facilitate the development of improved inhibitors and the understanding of disease relevant PORCN mutants.</p>
CIF file with ivanyukite-Pb structure
<p>This is a CIF file with ivanyulite-Pb structure data</p>
Structural model of PORCN .cif and .pdb files
Open the record for dataset details and reuse information.
Center Innovation Fund: JPL CIF Program
<p>Funds are distributed to each NASA Center to support emerging technologies and creative initiatives that leverage Center talent and capabilities. NASA scientists and engineers will lead projects and partnerships among Centers and with other agencies, research laboratories, academia and private industry are encouraged.</p>
Center Innovation Fund: KSC CIF Program
<p>Each individual NASA Center has full discretion on the use of the funds and the Center Chief Technologists coordinates a competitive process at their Center for the selection of projects.&nbsp;Kennedy Space Center (KSC) considers CIF very important because it encourages employees to develop innovative concepts that, if successful, can solve future mission needs. As in prior years, KSC put a strong emphasis on low Technology Readiness Level (TRL) technologies for CIF in support of Space Technology Area Roadmaps that align with KSC core capabilities.</p><p>KSC has emphasized partnerships for several years and has benefited in many ways from the other NASA centers and government agencies, academia and industry collaborations. In keeping with this emphasis, a key selection criterion for KSC CIF relates to collaborations and partnerships (with leveraged funding).&nbsp;</p>
Center Innovation Fund: AFRC CIF Program
<p>The Armstrong Flight Research Center is NASA&rsquo;s primary center for atmospheric flight research and operations,&nbsp;with a vision &ldquo;to fly what others only imagine.&rdquo; We believe that flight validation and research is one of&nbsp;the crucial phases within the advancement of any NASA technology, and it is often the barrier to technology&nbsp;utilization by the private sector. We also believe that aerospace technology can be enhanced through flight&nbsp;early in the Technology Readiness Level (TRL) lifecycle. In fact, some research can be done only in flight. The&nbsp;CIF projects are examples of aerospace technologies that are theoretically advantageous but have had&nbsp;little TRL advancement or are at too early of a technology level for support through a NASA mission.</p><p>The focus for the program is on validating, developing, and testing new and innovative technologies.</p><p>The current&nbsp;technology areas for the projects included:<br />AFRC is currently looking into following Technical Capability areas (not in any priority order and not all inclusive):<br />1.&nbsp;&nbsp; &nbsp;Small launch Space Systems<br />Develop small launch space systems such as horizontal rockets that could launch to orbit small free-flying space platforms (e.g., cuestas, nanosats, picosats).<br />2.&nbsp;&nbsp; &nbsp;Altitude Compensating Rocket Systems<br />Design, build, and test altitude compensating rocket systems or sub-systems designed to operate the rocket efficiently across a wide range of altitudes. &nbsp;Subsystems such as Altitude Compensating Nozzles are being considered.<br />3.&nbsp;&nbsp; &nbsp;Aero Gravity Assist Systems<br />Design, build, and test an Aerogravity assist system which uses a close approach to the planet, dipping into the atmosphere, so the spacecraft can also use aerodynamic lift to further curve the trajectory.<br />4.&nbsp;&nbsp; &nbsp;Launch Vehicle and Spacecraft Adaptive Controls<br />Develop and test adaptive controls architectures speci?cally tailored for application to launch vehicles. &nbsp;Adaptive Controls for launch vehicles would include unique features of the &nbsp;aerospace vehicle, such as control-structure interaction, propellant slosh, sensor performance, and actuator dynamics. &nbsp;In addition, the analysis, veri?cation, and ?ight certi?cation framework for the control system must be addressed.<br />5.&nbsp;&nbsp; &nbsp;Autonomous Systems<br />AFRC is exploring concepts for advanced autonomous systems and collaborative autonomous operations that could be applied across aerospace vehicles to enhance effectiveness, survivability, and affordability.<br />6.&nbsp;&nbsp; &nbsp;Autonomy in a Safety Critical Framework<br />Armstrong Flight Research Center is interested in the flight demonstration of high level autonomy in a safety critical framework with applicability to man-rated air and space vehicles. &nbsp;This high level of autonomy is enabled through the use of multiple sensor platforms and algorithms with high computational demands. &nbsp;Increased computational capability through embedded high performance computing and implementation of resource efficient algorithms is needed to support this integration. &nbsp;Research into embedded high performance computing using multi-core processors, FPGA, GPU, DSP and associated development of toolchains and algorithms targeted to these platforms is needed in order to reduce the Size, Weight, and Power (SWaP) of the flight vehicles..<br />7.&nbsp;&nbsp; &nbsp;Space Weather Systems<br />Design, develop, and test measurement systems to provide the capability for on-demand, validated, and archived radiation measurements related to human tissue and avionics silicon upset co
the cif file of Fe, γ-Fe2O3 and γ-FeOOH
<p>the cif file of Fe, γ-Fe2O3 and γ-FeOOH</p>
Chronic Indwelling Foley and Catheter Associated Trauma (CIF-CAT) Study
ClinicalTrials.gov study NCT03790826. IPD Sharing: NO. Countries: 0. Publications: 0.
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.