cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1mr57s
title: CCDC 1511815: Experimental Crystal Structure Determination

description: Related Article: Bharat ugale, C.M.Nagaraja|2016|CSD Communication|||
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.cc1mr59v
title: CCDC 1511817: Experimental Crystal Structure Determination

description: Related Article: Bharat ugale, C.M.Nagaraja|2016|CSD Communication|||
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.cc1mr5bw
title: CCDC 1511818: Experimental Crystal Structure Determination

description: Related Article: Bharat ugale, C.M.Nagaraja|2016|CSD Communication|||
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.ccxb07g
title: CCDC 843765: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.ccy6bjz
title: CCDC 870031: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cczl4qd
title: CCDC 911174: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cczpxr9
title: CCDC 914802: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc10g6pc
title: CCDC 937182: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc10g6qd
title: CCDC 937183: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc10g6rf
title: CCDC 937184: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc10pflq
title: CCDC 944123: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc115jf5
title: CCDC 958626: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc1mr5dy
title: CCDC 1511820: Experimental Crystal Structure Determination

description: Related Article: Bharat ugale, C.M.Nagaraja|2016|CSD Communication|||
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.ccnzm5d
title: CCDC 625244: Experimental Crystal Structure Determination

description: Related Article: Joanna Jezierska, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp5qxg
title: CCDC 631126: Experimental Crystal Structure Determination

description: Related Article: Joanna Jezierska, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp957c
title: CCDC 634422: Experimental Crystal Structure Determination

description: Related Article: Joanna Jezierska, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp958d
title: CCDC 634423: Experimental Crystal Structure Determination

description: Related Article: Natasa Avramovic, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.cczhvmx
title: CCDC 908970: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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: 10.5061/dryad.dv413.1/1.1
title: Phenotype data

description: Phenotype data for 274 half-sib families used in association analysis (except entries 137,161,196; see Gibbs sampler file). Includes the following columns:
    a. TREE: identifier for individual mother trees
    b. METLA: alternative identifier
    c. POP: population identifier
    d. BUDSET: BLUP-estimate of breeding value of TREE (from mixed model)
    e. LATITUDE: latitude of origin
    f. POPMEAN: estimate of population mean (from mixed model).
DOI: 10.5061/dryad.dv413.1/2.1
title: Genotype scores

description: Corrected genotype scores (see manuscript for details) for 271 half-sib families in 351 SNPs. 271 entries are in same order as in phenotype data file (with entries 137, 161 and 196 missing).
DOI: 10.5061/dryad.dv413.1/3.1
title: R script

description: R script to run MCMC simulation for the association analysis.
DOI: 10.5061/dryad.dv413.1/4.1
title: Gibbs sampler

description: Gibbs sampler in a C-language module implemented as an extension to R.
DOI: 10.5061/dryad.dv413.1/5.1
title: Dynamic link library

description: The module above (Gibbs sampler) compiled as a dynamic link library (As this is platform-specific, the above module may have to be compiled again. See R documentation for how to do this).
DOI: 10.5517/ccdc.csd.cc119n55
title: CCDC 962586: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc119n66
title: CCDC 962587: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.cc119n77
title: CCDC 962588: Experimental Crystal Structure Determination

description: Related Article: J.B.Baruah|2016|CSD Communication|||
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.ccp9537
title: CCDC 634418: Experimental Crystal Structure Determination

description: Related Article: Joanna Jezierska, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.163336
title: Popc/Cholesterol (70:30) Lipid Membrane, 303K, Charmm36 Force Field, Simulation Files And 200 Ns Trajectory For Gromacs Md Simulation Engine V5.1.2

description: The starting structure was obtained from CHARMM-GUI Membrane Builder v1.7 (http://www.charmm-gui.org/) online tool. [1]

All runs were performed with Gromacs 5.1.2 software package and CHARMM36 additive force field parameters obtained from CHARMM-GUI input files [1]. Conditions: T=303, 128 POPC molecules, 5120 tip3p waters, 200ns trajectory (preceded with equilibration)

These data were originally obtained for the nmrlipids.blospot.fi project.

Find more details at nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi

[1] CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field,  J. Lee et al.<strong>,</strong> JCTC,<strong> </strong>DOI: 10.1021/acs.jctc.5b00935
DOI: 10.5517/ccdc.csd.ccncc8m
title: CCDC 606740: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2006|CSD Communication|||
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.ccncc9n
title: CCDC 606741: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2006|CSD Communication|||
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.ccnccbp
title: CCDC 606742: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2006|CSD Communication|||
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: 10.4225/08/580ffcb0d68cc
title: Parkes observations of FRB 150807

description: This collection comprises observations of FRB 150807 relevant to the publication "The magnetic field and turbulence of the cosmic web measured using a brilliant fast radio burst", by Ravi, Shannon et al. 

Further details of the files are contained in the clear text "readme.txt" file contains in the collection.
DOI: 10.5517/ccdc.csd.ccnv1j1
title: CCDC 620853: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccnvdsn
title: CCDC 621202: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccnvzv9
title: CCDC 621762: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccnvzwb
title: CCDC 621763: Experimental Crystal Structure Determination

description: Related Article: Christian Frech, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccnyf11
title: CCDC 624093: Experimental Crystal Structure Determination

description: Related Article: Koushik Venkatesan, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp5qn6
title: CCDC 631118: Experimental Crystal Structure Determination

description: Related Article: Koushik Venkatesan, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp5qq8
title: CCDC 631120: Experimental Crystal Structure Determination

description: Related Article: Koushik Venkatesan, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp5qr9
title: CCDC 631121: Experimental Crystal Structure Determination

description: Related Article: Koushik Venkatesan, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.ccp5qwf
title: CCDC 631125: Experimental Crystal Structure Determination

description: Related Article: Koushik Venkatesan, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.163340
title: Popc/Cholesterol (70:30) Lipid Membrane, 303K, Charmm36 Force Field Through The Use Of Gromacs Input Files, Simulation Files And 100 Ns Trajectory For Openmm Simulation Engine V7

description: The starting structure was obtained from CHARMM-GUI Membrane Builder v1.7 (http://www.charmm-gui.org/) online tool. [1]

All runs were performed with openMM simulation engine v7 and CHARMM36 additive force field parameters obtained from CHARMM-GUI input files [1]. Specifically, Gromacs file format provided by [1] was specifically used for this simulation.

Conditions: T=303, 84 POPC and 36 Cholesterol molecules, 4800 tip3p waters, 100ns trajectory (preceded with equilibration).

These data were originally obtained for the nmrlipids.blospot.fi project.

Find more details at nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi

[1] CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field,  J. Lee et al.<strong>,</strong> JCTC,<strong> </strong>DOI: 10.1021/acs.jctc.5b00935
DOI: 10.5517/ccdc.csd.cc10m8mj
title: CCDC 942047: Experimental Crystal Structure Determination

description: Related Article: Masaichi Saito|2016|CSD Communication|||
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.ccnv1m4
title: CCDC 620856: Experimental Crystal Structure Determination

description: Related Article: Joanna Jezierska, Helmut W. Schmalle, Heinz Berke|2016|CSD Communication|||
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.