cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3956761
title: Simulations of DPPC/DOPC/CHOL 3/3/2 mixture using the model by Carpenter et al., Part 2

description: Simulations of 3/3/2 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using time steps ranging from 10 to 40 fs for 100 ns, during which velocities are stored in the trr trajectory. These simulations are initiated from the final structures of the 15 µs simulations available here:XXX. The files are named 332_XX_trr.YYY, where XX is the time step in fs and YYY are GROMACS-compatible file formats: trr for trajectory, edr for energy outputs, cpt for checkpoint file, tpr for run input file, and gro for final structure at the end of simulation. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system as mdXXfs_trr.mdp, where XX is the time step.
DOI: 10.5517/ccdc.csd.cc218vqx
title: CCDC 1885349: Experimental Crystal Structure Determination

description: Related Article: Guangying Tan, Yimin Wu, Yang Shi, Jingsong You|2019|Angew.Chem.,Int.Ed.|58|7440|doi:10.1002/anie.201902553
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc219sdk
title: CCDC 1886238: Experimental Crystal Structure Determination

description: Related Article: Victor Martínez-Agramunt, Tobias Eder, Heidar Darmandeh, Gregorio Guisado-Barrios, Eduardo Peris|2019|Angew.Chem.,Int.Ed.|58|5682|doi:10.1002/anie.201901586
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc219sfl
title: CCDC 1886239: Experimental Crystal Structure Determination

description: Related Article: Victor Martínez-Agramunt, Tobias Eder, Heidar Darmandeh, Gregorio Guisado-Barrios, Eduardo Peris|2019|Angew.Chem.,Int.Ed.|58|5682|doi:10.1002/anie.201901586
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc219sgm
title: CCDC 1886240: Experimental Crystal Structure Determination

description: Related Article: Victor Martínez-Agramunt, Tobias Eder, Heidar Darmandeh, Gregorio Guisado-Barrios, Eduardo Peris|2019|Angew.Chem.,Int.Ed.|58|5682|doi:10.1002/anie.201901586
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6073/pasta/10ebe50351d20960e4ef0fdb28cc4334
title: Long-term growth, mortality and regeneration of trees in permanent vegetation plots in the Pacific Northwest, 1910 to present

description: A network of more than 130 permanent vegetation plots provides long-term information on patterns and rates of forest succession in most of the major forest zones of the Pacific Northwest.  The plot network extends from the coast to the Cascades in western Oregon and Washington and east to ponderosa pine forests in the Oregon Cascades.

Most of the permanent plots were established during two intervals: from 1910 to 1948, and from 1970 to 1989. The earlier plots were established by U.S. Forest Service researchers to quantify timber growth in young stands of important commercial species and to help answer other applied forestry questions. The more recent period of plot establishment began under the Coniferous Forest Biome program of the International Biological Program during the 1970s, and continued under the Long-term Ecological Research program. A broader set of objectives motivated plot establishment since 1970, especially quantification of composition, structure, and population and ecosystem dynamics of natural forests.

Plots have one of three spatial arrangements: (1) contiguous rectangles subjectively placed within an area of homogeneous forest; (2) circular plots subjectively placed within an area of homogeneous forest; and (3) circular plots systematically located on long transects to sample an entire watershed, ridge, or reserve. Rectangular study areas are mostly 1.0 ha or 0.4 ha (1.0 ac) in size (slope-corrected). Circular plots are 0.1 ha (0.247 ac), not corrected for slope. The tree stratum is the focus of work in closed-forest study areas. All trees larger than a minimum diameter (5 cm for most areas) are permanently tagged.

Plots are censused every 5 or 6 years.  Attributes measured or assessed at each census include tree diameter, tree vigor, and the condition of the crown and stem.  The same attributes are recorded for trees (ingrowth) that have exceeded the minimum diameter since the previous census.  In many plots tree locations are surveyed to provide a plot-specific x-y location.  A mortality assessment is done for trees that have died since the previous census.  The assessment characterizes rooting, stem, and crown condition, obvious signs of distress or disturbance, and the apparent predisposing and proximate causes of tree death.
DOI: 10.15785/sbgrid/653
title: X-Ray Diffraction data from horse liver alcohol dehydrogease E L57F with NAD and trifluoroethanol, source of 6OA7 structure

description: high and low resolution passes to 1.1 A resolution
DOI: 10.17632/z5zy47d5yf.1
title: Data for: Beyond GDP indicators: A tension between powerful stakeholders and transformative potential?

description: These data provide rankings of 6 Beyond GDP indicators (the Human Development Index (HDI), the Social Progress Index (SPI), the Global Well-Being Index (GWBI), Quality of Life (QoL), the Happy Planet Index (HPI), and the recoded Sustainable Society Index (SSI)) and six separate variables, and their correlation with GDP's ranking.
DOI: 10.5281/zenodo.2665081
title: Hipo_erectus_efect_starv

description: Data supporting the scientific findings in manuscript   Effect of starvation on survival and biochemical profile of newborn juvenile seahorses Hippocampus erectus (Perry, 1810)"
DOI: 10.5281/zenodo.2665082
title: Hipo_erectus_efect_starv

description: Data supporting the scientific findings in manuscript   Effect of starvation on survival and biochemical profile of newborn juvenile seahorses Hippocampus erectus (Perry, 1810)"
DOI: 10.5517/ccdc.csd.cc21bv4d
title: CCDC 1887253: Experimental Crystal Structure Determination

description: Related Article: Xiaoping Cui, Guowei Zhang, Lei Zhang, Zhaohui Wang|2019|Dyes Pigm.|168|295|doi:10.1016/j.dyepig.2019.04.070
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21djzz
title: CCDC 1888891: Experimental Crystal Structure Determination

description: Related Article: Xuexiu Xia, Chengrong Lu, Bei Zhao, Yingming Yao|2019|RSC Advances|9|13749|doi:10.1039/C9RA01529A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21fcvq
title: CCDC 1889693: Experimental Crystal Structure Determination

description: Related Article: Angelos B. Canaj, Mukesh Kumar Singh, Emma Regincós Marti, Marko Damjanović, Claire Wilson, Oscar Céspedes, Wolfgang Wernsdorfer, Gopalan Rajaraman, Mark Murrie|2019|Chem.Commun.|55|5950|doi:10.1039/C9CC00965E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21fcwr
title: CCDC 1889694: Experimental Crystal Structure Determination

description: Related Article: Angelos B. Canaj, Mukesh Kumar Singh, Emma Regincós Marti, Marko Damjanović, Claire Wilson, Oscar Céspedes, Wolfgang Wernsdorfer, Gopalan Rajaraman, Mark Murrie|2019|Chem.Commun.|55|5950|doi:10.1039/C9CC00965E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21fcxs
title: CCDC 1889695: Experimental Crystal Structure Determination

description: Related Article: Angelos B. Canaj, Mukesh Kumar Singh, Emma Regincós Marti, Marko Damjanović, Claire Wilson, Oscar Céspedes, Wolfgang Wernsdorfer, Gopalan Rajaraman, Mark Murrie|2019|Chem.Commun.|55|5950|doi:10.1039/C9CC00965E
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.3956760
title: Simulations of DPPC/DOPC/CHOL 3/3/2 mixture using the model by Carpenter et al., Part 2

description: Simulations of 3/3/2 mixture of DPPC/DOPC/CHOL with the refined Martini model by Carpenter et al. Simulations are performed using time steps ranging from 10 to 40 fs for 100 ns, during which velocities are stored in the trr trajectory. These simulations are initiated from the final structures of the 15 µs simulations available here:XXX. The files are named 332_XX_trr.YYY, where XX is the time step in fs and YYY are GROMACS-compatible file formats: trr for trajectory, edr for energy outputs, cpt for checkpoint file, tpr for run input file, and gro for final structure at the end of simulation. The topology (topol.top) and index file (index.ndx) are common for all simulations, and the TOP.tar contains all the force field parameters (itp). The run input parameters (mdp) are provided for each system as mdXXfs_trr.mdp, where XX is the time step.
DOI: 10.5517/ccdc.csd.cc21k6pj
title: CCDC 1893377: Experimental Crystal Structure Determination

description: Related Article: Marcus B. Kindervater, Katherine M. Marczenko, Ulrike Werner-Zwanziger, Saurabh S. Chitnis|2019|Angew.Chem.,Int.Ed.|58|7850|doi:10.1002/anie.201903354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21k6qk
title: CCDC 1893378: Experimental Crystal Structure Determination

description: Related Article: Marcus B. Kindervater, Katherine M. Marczenko, Ulrike Werner-Zwanziger, Saurabh S. Chitnis|2019|Angew.Chem.,Int.Ed.|58|7850|doi:10.1002/anie.201903354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21nkdp
title: CCDC 1896592: Experimental Crystal Structure Determination

description: Related Article: Sanja Burazer, Fabrice Morelle, Yaroslav Filinchuk, Radovan Cerný, Jasminka Popovic|2019|Inorg.Chem.|58|6927|doi:10.1021/acs.inorgchem.9b00446
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z30x0
title: CCDC 1820162: Experimental Crystal Structure Determination

description: Related Article: Yongliang Zhang, Liang Liu, Tianyang Chen, Zhe Huang, Wen-Xiong Zhang, Zhenfeng Xi|2019|Organometallics|38|2174|doi:10.1021/acs.organomet.9b00154
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z3159
title: CCDC 1820170: Experimental Crystal Structure Determination

description: Related Article: Yongliang Zhang, Liang Liu, Tianyang Chen, Zhe Huang, Wen-Xiong Zhang, Zhenfeng Xi|2019|Organometallics|38|2174|doi:10.1021/acs.organomet.9b00154
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc1z316b
title: CCDC 1820171: Experimental Crystal Structure Determination

description: Related Article: Yongliang Zhang, Liang Liu, Tianyang Chen, Zhe Huang, Wen-Xiong Zhang, Zhenfeng Xi|2019|Organometallics|38|2174|doi:10.1021/acs.organomet.9b00154
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21nkfq
title: CCDC 1896593: Experimental Crystal Structure Determination

description: Related Article: Sanja Burazer, Fabrice Morelle, Yaroslav Filinchuk, Radovan Cerný, Jasminka Popovic|2019|Inorg.Chem.|58|6927|doi:10.1021/acs.inorgchem.9b00446
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21p182
title: CCDC 1897053: Experimental Crystal Structure Determination

description: Related Article: Titli Ghosh, Ananya Mukherji, Pavan K. Kancharla|2019|Org.Lett.|21|3490|doi:10.1021/acs.orglett.9b00626
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21p193
title: CCDC 1897054: Experimental Crystal Structure Determination

description: Related Article: Titli Ghosh, Ananya Mukherji, Pavan K. Kancharla|2019|Org.Lett.|21|3490|doi:10.1021/acs.orglett.9b00626
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21p33z
title: CCDC 1897110: Experimental Crystal Structure Determination

description: Related Article: Xiaoping Cui, Guowei Zhang, Lei Zhang, Zhaohui Wang|2019|Dyes Pigm.|168|295|doi:10.1016/j.dyepig.2019.04.070
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21py8z
title: CCDC 1897921: Experimental Crystal Structure Determination

description: Related Article: Juan P. Vizuet, Thomas S. Howlett, Abigail L. Lewis, Zachary D. Chroust, Gregory T. McCandless, Kenneth J. Balkus Junior
|2019|Inorg.Chem.|58|5031|doi:10.1021/acs.inorgchem.9b00077
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21sqg1
title: CCDC 1900593: Experimental Crystal Structure Determination

description: Related Article: Reagan Hooper, Alexander Mason, Maleek Montgomery, Braden Clinebell, Ryan Gaynor, Colin McMillen, Daniela Tapu|2019|Chem.Commun.|55|5942|doi:10.1039/C9CC01892A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21sqh2
title: CCDC 1900594: Experimental Crystal Structure Determination

description: Related Article: Reagan Hooper, Alexander Mason, Maleek Montgomery, Braden Clinebell, Ryan Gaynor, Colin McMillen, Daniela Tapu|2019|Chem.Commun.|55|5942|doi:10.1039/C9CC01892A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21sqj3
title: CCDC 1900595: Experimental Crystal Structure Determination

description: Related Article: Reagan Hooper, Alexander Mason, Maleek Montgomery, Braden Clinebell, Ryan Gaynor, Colin McMillen, Daniela Tapu|2019|Chem.Commun.|55|5942|doi:10.1039/C9CC01892A
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15785/sbgrid/472
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - D182A mutant in complex with glucosylglycerate, source of 5OIW structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OIW structure
DOI: 10.15785/sbgrid/483
title: X-Ray Diffraction data from Mycobacterial glucosylglycerate hydrolase - E419A mutant in complex with glucosylglycolate, source of 5OO2 structure

description: X-Ray Diffraction data from M. hassiacum GgH, source of 5OO2 structure
DOI: 10.17632/xts7pgwgfr.1
title: Data for: Comparing Dynamic Multisector Models

description: 1) Input-output data for U.S industrial sectors 1997 2) Industrial production data U.S 1972-2008
DOI: 10.17632/vvs746z5sn.1
title: Data for: Comparison of the chemokine profiles in the bronchoalveolar lavage fluid between IgG4-related respiratory disease and sarcoidosis: CC-chemokine ligand 1 might be involved in the pathogenesis of sarcoidosis

description: Attached data were cytokine analysis of BALF in Sarcoidosis and IgG-4RRD.
DOI: 10.5517/ccdc.csd.cc21vnzk
title: CCDC 1902469: Experimental Crystal Structure Determination

description: Related Article: Yan Peng, Mukesh Kumar Singh, Valeriu Mereacre, Christopher E. Anson, Gopalan Rajaraman, Annie K. Powell|2019|Chemical Science|10|5528|doi:10.1039/C8SC05362F
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21x178
title: CCDC 1903779: Experimental Crystal Structure Determination

description: Related Article: Marcus B. Kindervater, Katherine M. Marczenko, Ulrike Werner-Zwanziger, Saurabh S. Chitnis|2019|Angew.Chem.,Int.Ed.|58|7850|doi:10.1002/anie.201903354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21x189
title: CCDC 1903780: Experimental Crystal Structure Determination

description: Related Article: Marcus B. Kindervater, Katherine M. Marczenko, Ulrike Werner-Zwanziger, Saurabh S. Chitnis|2019|Angew.Chem.,Int.Ed.|58|7850|doi:10.1002/anie.201903354
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.