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258 results for “ATP”
The ATP dataset for 26Al16O
<p>The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/AlO/26Al-16O/ATP.<br>Please check the reference details according to the following description or directly from the website.<br> <strong>NB: The html description skips data which are not included in the current version for the purpose of simplicity. Please check AlO_26Al16O_ATP.md for detailed information.</strong> <br></p> <strong>Definitions file</strong> <blockquote> <p><strong>26Al-16O__ATP.def</strong>[6.59 KB]<br></p> <p><strong>References:</strong><br> 1. Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). [<a href="https://doi.org/10.1016/j.jqsrt.2020.107228">https://doi.org/10.1016/j.jqsrt.2020.107228</a>]</p> </blockquote> <strong>Spectroscopic Model</strong> <blockquote> <p><a href="https://exomol.com/models/AlO/26Al-16O/ATP/">https://exomol.com/models/AlO/26Al-16O/ATP/</a><br></p> </blockquote> <strong>ATP: line list</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>26Al-16O__ATP.states.bz2</strong>[1.07 MB]<br>Labelled rovibrational states of (26Al)(16O). Some calculated (Ca) energy levels were replaced with Pseudo-experimental correction (PE) values.</p> <p><strong>26Al-16O__ATP.trans.bz2</strong>[53.57 MB]<br>Frequency ordered transitions of (26Al)(16O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: partition function</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>26Al-16O__ATP.pf</strong>[22.85 KB]<br>Partition function for (26Al)(16O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: opacity</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.ARCiS.fits.gz</strong>[444.15 MB]<br>ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.petitRADTRANS.h5</strong>[370.98 MB]<br>petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.NEMESIS.kta</strong>[232.01 MB]<br>NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R15000_0.3-50mu.xsec.TauREx.h5</strong>[348.39 MB]<br>TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: ATP (27Al)(16O) line list.</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br> 2. Chubb, K. L., Rocchetto, M., Yurchenko, S. N., Min, M., Waldmann, I., Barstow, J. K., Molliere, P., Al-Refaie, A. F, Phillips, M. W., Tennyson, J., "The ExoMolOP database: Cross sections and k-tables for molecules of interest in high-temperature exoplanet atmospheres", Astronomy and Astrophysics 646, A21 (2020). <a href="[http://dx.doi.org/10.1051/0004-6361/202038350]">[http://dx.doi.org/10.1051/0004-6361/202038350]</a>[20ChRoYu.]<br></p> </blockquote> <strong>ATP: other States files</strong> <p><strong>NB: These data are not included in current version on Zenodo</strong><br> <strong>Data can be accessed via:</strong> https://exomol.com/data/molecules/AlO/26Al-16O/ATP<br></p>
The ATP dataset for 27Al18O
<p>The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/AlO/27Al-18O/ATP.<br>Please check the reference details according to the following description or directly from the website.<br> <strong>NB: The html description skips data which are not included in the current version for the purpose of simplicity. Please check AlO_27Al18O_ATP.md for detailed information.</strong> <br></p> <strong>Definitions file</strong> <blockquote> <p><strong>27Al-18O__ATP.def</strong>[6.48 KB]<br></p> <p><strong>References:</strong><br> 1. Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). [<a href="https://doi.org/10.1016/j.jqsrt.2020.107228">https://doi.org/10.1016/j.jqsrt.2020.107228</a>]</p> </blockquote> <strong>Spectroscopic Model</strong> <blockquote> <p><a href="https://exomol.com/models/AlO/27Al-18O/ATP/">https://exomol.com/models/AlO/27Al-18O/ATP/</a><br></p> </blockquote> <strong>ATP: line list</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-18O__ATP.states.bz2</strong>[1.13 MB]<br>Labelled rovibrational states of (27Al)(18O). Some calculated (Ca) energy levels were replaced with Pseudo-experimental correction (PE) values.</p> <p><strong>27Al-18O__ATP.trans.bz2</strong>[59.06 MB]<br>Frequency ordered transitions of (27Al)(18O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: partition function</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-18O__ATP.pf</strong>[22.85 KB]<br>Partition function for (27Al)(18O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: other States files</strong> <p><strong>NB: These data are not included in current version on Zenodo</strong><br> <strong>Data can be accessed via:</strong> https://exomol.com/data/molecules/AlO/27Al-18O/ATP<br></p>
The ATP dataset for 27Al16O
<p>The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/AlO/27Al-16O/ATP.<br>Please check the reference details according to the following description or directly from the website.<br> <strong>NB: The html description skips data which are not included in the current version for the purpose of simplicity. Please check AlO_27Al16O_ATP.md for detailed information.</strong> <br></p> <strong>Definitions file</strong> <blockquote> <p><strong>27Al-16O__ATP.def</strong>[6.48 KB]<br></p> <p><strong>References:</strong><br> 1. Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). [<a href="https://doi.org/10.1016/j.jqsrt.2020.107228">https://doi.org/10.1016/j.jqsrt.2020.107228</a>]</p> </blockquote> <strong>Spectroscopic Model</strong> <blockquote> <p><a href="https://exomol.com/models/AlO/27Al-16O/ATP/">https://exomol.com/models/AlO/27Al-16O/ATP/</a><br></p> </blockquote> <strong>ATP: line list</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-16O__ATP.states.bz2</strong>[1.09 MB]<br>Labelled rovibrational states of (27Al)(16O). Many calculated (Ca) energy levels were replaced with Marvelised (Ma), Effective Hamiltonian (EH), Predicted shift (PS) and Pseudo-experimental correction (PE) values.</p> <p><strong>27Al-16O__ATP.trans.bz2</strong>[31.11 MB]<br>Frequency ordered transitions of (27Al)(16O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br> 2. Bowesman, C. A., Shuai, M., Yurchenko, S. N., Tennyson, J., "A high resolution line list for AlO", Monthly Notices of the Royal Astronomical Society Submitted (2021).<br></p> </blockquote> <strong>ATP: partition function</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-16O__ATP.pf</strong>[22.85 KB]<br>Partition function for (27Al)(16O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: other States files</strong> <p><strong>NB: These data are not included in current version on Zenodo</strong><br> <strong>Data can be accessed via:</strong> https://exomol.com/data/molecules/AlO/27Al-16O/ATP<br></p> <strong>ATP: opacity</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.ARCiS.fits.gz</strong>[444.15 MB]<br>ARCiS k-tables at R= 1000 (0.3-50mu) in fits format (gzipped): ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.petitRADTRANS.h5</strong>[370.98 MB]<br>petitRADTRANS k-tables at R= 1000 (0.3-50mu) in HDF5 format: ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R1000_0.3-50mu.ktable.NEMESIS.kta</strong>[232.01 MB]<br>NEMESIS k-tables at R= 1000 (0.3-50mu) in NEMESIS-kta format: ATP (27Al)(16O) line list.</p> <p><strong>27Al-16O__ATP.R15000_0.3-50mu.xsec.TauREx.h5</strong>[348.39 MB]<br>TauREx k-tables at R= 15000 (0.3-50mu) in HDF5 format: ATP (27Al)(16O) line list.</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote>
The ATP dataset for 27Al17O
<p>The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/AlO/27Al-17O/ATP.<br>Please check the reference details according to the following description or directly from the website.<br> <strong>NB: The html description skips data which are not included in the current version for the purpose of simplicity. Please check AlO_27Al17O_ATP.md for detailed information.</strong> <br></p> <strong>Definitions file</strong> <blockquote> <p><strong>27Al-17O__ATP.def</strong>[6.48 KB]<br></p> <p><strong>References:</strong><br> 1. Tennyson, J., Yurchenko, S. N., Al-Refaie, A. F., Clark, V. H. J., Chubb, K. L., Conway, E. K., Dewan, A., Gorman, M. N., Hill, C., Lynas-Gray, A. E., Mellor, T., McKemmish, L. K., Owens, A., Polyansky, O. L., Semenov, M., Somogyi, W., Tinetti, G., Upadhyay, A., Waldmann, I., Wang, Y., Wright, S., Yurchenko, O. P., "The 2020 release of the ExoMol database: molecular line lists for exoplanet and other hot atmospheres", J. Quant. Spectrosc. Rad. Transf., 255, 107228 (2020). [<a href="https://doi.org/10.1016/j.jqsrt.2020.107228">https://doi.org/10.1016/j.jqsrt.2020.107228</a>]</p> </blockquote> <strong>Spectroscopic Model</strong> <blockquote> <p><a href="https://exomol.com/models/AlO/27Al-17O/ATP/">https://exomol.com/models/AlO/27Al-17O/ATP/</a><br></p> </blockquote> <strong>ATP: line list</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-17O__ATP.states.bz2</strong>[1.11 MB]<br>Labelled rovibrational states of (27Al)(17O). Some calculated (Ca) energy levels were replaced with Pseudo-experimental correction (PE) values.</p> <p><strong>27Al-17O__ATP.trans.bz2</strong>[56.65 MB]<br>Frequency ordered transitions of (27Al)(17O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: partition function</strong> <p><em>Line lists for four isotopes of aluminium monoxide covering the pure rotation, rotation–vibration and electronic (B − X blue–green and A − X infrared bands) spectrum. States file updated 20-11-2015.</em><br></p> <blockquote> <p><strong>ATP_README.txt</strong>[5.08 KB]<br>Documentation for the AlO line list of the ATP dataset</p> <p><strong>27Al-17O__ATP.pf</strong>[22.85 KB]<br>Partition function for (27Al)(17O)</p> <p><strong>References:</strong><br> 1. Patrascu, A. T., Yurchenko, S. N., Tennyson, J., "ExoMol molecular line lists: IX The spectrum of AlO", Monthly Notices of the Royal Astronomical Society 449, 3613-3619 (2015). <a href="[http://dx.doi.org/10.1093/mnras/stv507]">[http://dx.doi.org/10.1093/mnras/stv507]</a>[15PaYuTe.AlO]<br></p> </blockquote> <strong>ATP: other States files</strong> <p><strong>NB: These data are not included in current version on Zenodo</strong><br> <strong>Data can be accessed via:</strong> https://exomol.com/data/molecules/AlO/27Al-17O/ATP<br></p>
How does Mg2+(aq.) interact with ATP(aq.)? Observations through the lens of liquid-jet photoelectron spectroscopy - data
<p>Dataset pertaining to the article "How does Mg2+(aq) interact with ATP(aq)? Biomolecular Structure through the Lens of Liquid-Jet Photoemission Spectroscopy", published in Journal of the American Chemical Society (<a href="https://doi.org/10.1021/jacs.4c03174" target="_blank" rel="noopener">doi: 10.1021/jacs.4c03174</a>). Here, we arrive at new information on the interaction of ATP with Mg under physiological conditions by interpreting photoelectron spectra and intermolecular Coulombic decay from a liquid microjet.</p> <p>Files with extension .h5 are hdf5-files structured according to the NeXus standard v2022.07, see<br>https://www.nexusformat.org/<br>https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html<br>NeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:<br>* nexpy (distributed with python)<br>* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)</p> <p>In each NeXus file-entry, two types of spectra are shown:<br>1. Sweep-averaged spectra, integrated over the non-dispersive coordinate of our detector ('data'). For ATP spectra, the ADP overview spectrum, and ADP/Mg2+ Mg 2s spectra, a binding energy correction shifting the liquid 1b1 feature to 11.33 eV is applied.<br>2. As-measured data ('raw').</p> <p>Files with extension .txt are comma-separated ascii-files.</p> <p><br>The following files are provided:</p> <p>Photoemission data pertaining to adenosine phosphate PES measurements:<br>atp-mg.h5 - ATP photoemission spectra in the presence of Mg2+ cations in varying concentration<br>adp-mg.h5 - ADP photoemission spectra in the presence of Mg2+ cations in varying concentration<br>amp-mg.h5 - AMP photoemission spectra in the presence of Mg2+ cations (a single concentration)<br>atp-adp-amp.h5 - ATP, ADP, AMP photoemission without Mg admixture<br>mg-only.h5 - Mg 2s core level spectra without ATP<br>tham-only.h5 - VB band measured with only THAM (tris(hydroxymethyl)aminomethane), used as buffer for pH stabilization<br>atp-icd.h5 - ATP photoemission spectra in the presence of Mg2+ cations, kinetic energy range of ICD features (publication is based on the last three entries).<br><br></p> <p>Numeric representations of the traces shown in the article's figures:<br>Figure_3-data.txt<br>Figure_5a-Mg2p.txt<br>Figure_5a-Mg2s.txt<br>Figure_5a-Mgonly.txt<br>Figure_5a-P2p.txt<br>Figure_5a-P2s.txt<br>Figure_5b.txt<br>Figure_5c.txt<br>Figure_6-ADP.txt<br>Figure_6-AMP.txt<br>Figure_6-ATP.txt<br>Figure_8a-data.txt<br>Figure_S2-Tris.txt<br>Figure_S2-Tris_with_Mg2+.txt<br>Figure_S4-data.txt.</p> <p>Version history<br>3: updated to reflect changes in Figure numbering between ArXiv-post and version published in JACS, additional Figure 5-data added<br>2: NeXus-data added<br>1: initial upload</p> <p>Contact person for questions regarding this data set: Uwe Hergenhahn, uhe@fhi.mpg.de . If you use these data for your scientific work we are curious to learn about it.</p>
A molecular dynamics study of adenylyl cyclase: the impact of ATP and G-protein binding
<p>Adenylyl cyclases (ACs) catalyze the biosynthesis of cyclic adenosine monophosphate (cAMP) from adenosine triphosphate (ATP) and play an important role in many signal transduction pathways. The enzymatic activity of ACs is carefully controlled by a variety of molecules, including G-protein subunits that can both stimulate and inhibit cAMP production. Using homology models developed from existing structural data, we have carried out all-atom, microsecond-scale molecular dynamics simulations on the AC5 isoform of adenylyl cyclase and on its complexes with ATP and with the stimulatory G-protein subunit Gsα. The results show that both ATP and Gsα binding have significant effects on the structure and flexibility of adenylyl cyclase. New data on ATP bound to AC5 in the absence of Gsα notably help to explain how Gsα binding enhances enzyme activity and could aid product release. Simulations also suggest a possible coupling between ATP binding and interactions with the inhibitory G-protein subunit Gαi.</p> <p>All-atom molecular dynamics simulations were performed with the GROMACS 5 package. The simulations were carried out in an NTP ensemble at a temperature of 310 K and a pressure of 1 bar using a Bussi velocity-rescaling thermostat (t<sub>T</sub> = 1 ps) and a Parrinello-Rahman barostat (t<sub>P</sub> = 1 ps). We provide the atomistic trajectories of the following 6 systems after 400 ns of equilibration:</p> <ul> <li>AC5</li> <li>AC5+ATP</li> <li>AC5+Gsα</li> <li>AC5+ATP+Gsα</li> <li>AC5+FOK</li> <li>AC5+ATP+FOK</li> </ul> <p>In each trajectory, the frames are saved each 20 ps.</p>
Molecular dynamic trajectory of magnesium binding wild type for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_wt.dcd) and corresponding psf file (ATPsynth_mg_wt.psf)</p>
Molecular dynamic trajectory of calcium binding T163S mutant for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for T163S mutants of the beta subunit binding calcium:</p> <p>50ns trajectory (ATPsynth_woh2o_Ca_mut.dcd) and corresponding psf file (ATPsynth_ca_mut.psf)</p>
Molecular dynamic trajectory of calcium binding wild type for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for wild type of the beta subunit binding calcium:</p> <p>50ns trajectory (ATPsynth_woh2o_Ca_wt.dcd) and corresponding psf file (ATPsynth_ca_wt.psf)</p> <p> </p>
Molecular dynamic trajectory of magnesium binding T163S mutant for the article "Ca 2+ binding to F-ATP synthase β subunit triggers the mitochondrial permeability transition"
<p>ATP synthase molecular dynamics simulations files for T163S mutants of the beta subunit binding magnesium:</p> <p>50ns trajectory (ATPsynth_woh2o_Mg_mut.dcd) and corresponding psf file (ATPsynth_mg_mut.psf)</p> <p> </p>
Fig. 3 in ATP accumulation in early resting cyst formation towards cryptobiosis in Colpoda cucullus
Fig. 3. Measurement of the relative amount of ATP per 10,000 cells in vegetative cells and cells at 12 h after the onset of encystment induction. The columns and attached bars represent the means and standard errors of 9 identical replicates, respectively. Double asterisks represent significant differences at p <0.01.
Fig. 2 in ATP accumulation in early resting cyst formation towards cryptobiosis in Colpoda cucullus
Fig. 2. Relative gene expression of ATP synthase beta chain by real time PCR analysis. The columns and attached bars represent the means and standard errors of 4 identical replicates, respectively. Double asterisks represent significant differences at p <0.01.
Fig. 1 in ATP accumulation in early resting cyst formation towards cryptobiosis in Colpoda cucullus
Fig. 1. Visualization of the mitochondrial membrane potential of Colpoda vegetative cells using a Mito PT assay kit; the results from cells at 0 h and cells at 1–24 h after the onset of encystment induction are shown. Differential interference microscopic observation (A) and fluorescence microscopic observation (B). Cells that contain mitochondria with polarized inner membranes show orange fluorescence, whereas those with depolarized mitochondria show green fluorescence. The bar represents 100 μm.
Bacterial F-type ATP synthases follow a well-choreographed assembly pathway
<p>The raw data provided here are referenced in the manuscript ''Bacterial F-type ATP synthases follow a well-choreographed assembly pathway'', which is in preparation for publication. The raw data files have the same name as the figures generated from the respective raw data.</p> <p>Content of the dataset:</p> <p>1) raw spectra from LILBID measurements<br> 2) raw spectra from nESI measurements<br> 3) raw spectra from HPLC measurements<br> 4) absorbance measurements and calculations for activity assays</p>
Datos Torneos ATP -simulado-
<p>Este dataset es una simulación del que genera el código desarrollado para la Práctica 1 de la Asignatura Tipología y Ciclo de Vida de los datos del Master en Ciencia de Datos de la UOC.</p> <p>La publicación se realiza en formato abierto ya que no se corresponde con datos reales y, en consecuencia, no es necesaria la protección de los mismos.</p>
ATP binding facilitates target search of SWR1 chromatin remodeler by promoting one-dimensional diffusion on DNA
<p>One-dimensional (1D) target search is a well-characterized phenomenon for many DNA-binding proteins but is poorly understood for chromatin remodelers. Herein, we characterize the 1D scanning properties of SWR1, a conserved yeast chromatin remodeler that performs histone exchange on +1 nucleosomes adjacent to a nucleosome-depleted region (NDR) at gene promoters. We demonstrate that SWR1 has a kinetic binding preference for DNA of NDR length as opposed to gene-body linker length DNA. Using single and dual color single-particle tracking on DNA stretched with optical tweezers, we directly observe SWR1 diffusion on DNA. We found that various factors impact SWR1 scanning, including ATP which promotes diffusion through nucleotide binding rather than ATP hydrolysis. A DNA-binding subunit, Swc2, plays an important role in the overall diffusive behavior of the complex, as the subunit in isolation retains similar, although faster, scanning properties as the whole remodeler. ATP-bound SWR1 slides until it encounters a protein roadblock, of which we tested dCas9 and nucleosomes. The median diffusion coefficient, 0.024 μm2/s, in the regime of helical sliding, would mediate rapid encounter of NDR-flanking nucleosomes at length scales found in cellular chromatin.</p>
Dataset: Agape ATP Corporation (ATPC) Stock Performance
This dataset provides historical stock market performance data for specific companies. It enables users to analyze and understand the past trends and fluctuations in stock prices over time. This information can be utilized for various purposes such as investment analysis, financial research, and market trend forecasting.
Figure 6 in Comparison of microplankton heterotrophic-photoautotrophic balance based on the content of ATP and chlorophyll a in the plankton of the northern area of the Black Sea during the autumn and spring seasons
Figure 6. Distribution of microplankton HPI in the photic zone of the Crimean coastal waters and deep-water northern part of the Black Sea at April 2017.
Figure 4 in Comparison of microplankton heterotrophic-photoautotrophic balance based on the content of ATP and chlorophyll a in the plankton of the northern area of the Black Sea during the autumn and spring seasons
Figure 4. Distribution of microplankton HPI in the photic zone of the Crimean coastal waters and deep-water northern part of the Black Sea at October 2016.
Figure 3 in Comparison of microplankton heterotrophic-photoautotrophic balance based on the content of ATP and chlorophyll a in the plankton of the northern area of the Black Sea during the autumn and spring seasons
Figure 3. Distribution of microplankton HPI in the surface waters of the Crimean coastal waters and deep-water northern part of the Black Sea at October 2016.
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.