cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.5805105
title: Erythroxylum incrassatum SPAdes preassembly

description: .
DOI: 10.5281/zenodo.5805104
title: Erythroxylum incrassatum SPAdes preassembly

description: .
DOI: 10.5281/zenodo.5804647
title: All-atom Molecular Dynamics Simulations of Meiosis 1-associated protein (M1AP) to Investagate the Impact of Known Missense Mutations Associated with Male Infertility through Non-obstructive Azoospermia

description: Protein structure of meiosis 1-associated protein (M1AP) was modelled by using GalaxyWeb (from Seok Lab). We used this model to investigate the impact of variants (i.e., S50P, R266Q, P389L, G317R, and L430P) in M1AP which were recently associated with non-obstructive azoospermia (NOA). NOA is a male infertility-related condition causing absence of sperm in the seminal fluid due to meiosis failure. We aimed to elucidate the pathogenicity mechanisms of these five missense NOA-related mutations on M1AP by performing molecular modeling and molecular dynamics (MD) simulations. This dataset includes the results of 1000 ns MD simulations (two repeats, each 500 ns) for each of the mutant and wild-type systems. Systems were prepared in Visual Molecular Dynamics (VMD 1.9.3) by placing them in a TIP3P water box with approximately 20 Å thickness from the protein surface and neutralizing the system charge with 0.15 M KCl. Of note, only protein parts were kept for the submission to reduce the size of files. Nanoscale Molecular Dynamics (NAMD 2.13-CUDA) was used to perform MD simulations with CHARMM36m force field. For pressure and temperature controls, Nosé-Hoover Langevin barostat and Langevin thermostat were used. ShakeH algorithm of NAMD was applied for water molecule constraints. 12 Å cut-off distance was used for van der Waals interactions. Switching function starts at 10 Å and reaches zero at 14 Å. Integration time-step was 2 fs. To compute the long-range Coulomb interactions, the particle-mash Ewald method was used. NPT ensemble was applied for whole simulations. Two step minimization & equilibration procedure was performed: (1) 5,000-step minimization and 1 ns equilibrium with constraints on the protein; (2) 5,000-step minimization and 1 ns equilibrium without the constraints on the protein. All related configuration files for wild-type system were also included to the dataset. Production simulations were run twice along 500 ns by using different random seeds to assign the velocities from Boltzmann distribution (total simulation time for each system was 1000 ns, which are given as 500 ns repeat 1, and 500 ns repeat 2). The production simulations were supplied in the dataset.
DOI: 10.5517/ccdc.csd.cc26q6pv
title: CCDC 2047137: Experimental Crystal Structure Determination

description: Related Article: Xiaoli Han, Xiaodi Nie, Yiman Feng, Bangguo Wei, Changmei Si, Guoqiang Lin|2021|Chin.Chem.Lett.|32|3526|doi:10.1016/j.cclet.2021.05.003
DOI: 10.5517/ccdc.csd.cc26q6qw
title: CCDC 2047138: Experimental Crystal Structure Determination

description: Related Article: Xiaoli Han, Xiaodi Nie, Yiman Feng, Bangguo Wei, Changmei Si, Guoqiang Lin|2021|Chin.Chem.Lett.|32|3526|doi:10.1016/j.cclet.2021.05.003
DOI: 10.25989/g0n8-vg11
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Ni,Fe,Mn,Co annealed at 300.0C to add S on 2015-08-04 from Experiment 20150804.124600

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20150804.124600.copied-20180926221131382PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/g0n8-vg11/20150804.124600.copied-20180926221131382PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/rj05-mw14
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Ni,Fe,Co,Ce annealed at 350.0C to add O on 2015-03-04 from Experiment 20150303.161700

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20150303.161700.copied-20180926211742065PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/rj05-mw14/20150303.161700.copied-20180926211742065PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/5aqj-c614
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing BiV,V,Sb,W,Gd,Gd,Mo,Tb annealed at 565.0C to add O on 2017-03-04 from Analysis 20170303.205100

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170303.205100.copied-20180927010824933PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/5aqj-c614/20170303.205100.copied-20180927010824933PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/a3gh-4c25
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements containing 0 files performed on plate containing Zn,Mg,Ca,Mn,Co,Ta annealed at 550.0C to add O on 2017-09-21 from Run 20170921.104500

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170921.104500.copied-20180927013715027PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/a3gh-4c25/20170921.104500.copied-20180927013715027PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/5hnq-y461
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Ni,Fe,Co,Ce,Co annealed at 350.0C to add O on 2013-04-14 from Experiment 20130414.150502

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20130414.150502.copied-20180926160751791PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/5hnq-y461/20130414.150502.copied-20180926160751791PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/qzvh-gp78
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Ni,La,Co,Ce,Fe annealed at 350.0C to add O on 2013-12-24 from Experiment 20131223.182500

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20131223.182500.copied-20180926172721060PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/qzvh-gp78/20131223.182500.copied-20180926172721060PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/j0eb-qv92
title: Materials Experiment and Analysis Database: Sample imaging and alignment measurements containing 2 files performed on plate containing Ni,Fe,Cu,Mn,Co,Ta annealed at 400.0C to add O on 2017-07-31 from Run 20170731.111754

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170731.111754.copied-20170731121010040PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/j0eb-qv92/20170731.111754.copied-20170731121010040PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/h9k3-dy16
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements containing 0 files performed on plate containing Bi,Sb,V,Nb,Co annealed at 550.0C to add O on 2014-02-04 from Run 20140203.161500

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20140203.161500.copied-20180926173921427PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/h9k3-dy16/20140203.161500.copied-20180926173921427PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/d8z5-wx61
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing NiFe,Co annealed at 350.0C to add O on 2013-09-12 from Experiment 20130912.101300

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20130912.101300.copied-20180926165007395PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/d8z5-wx61/20130912.101300.copied-20180926165007395PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7ngx-3f57
title: Materials Experiment and Analysis Database: Electrochemistry analysis in which 0 sub-analyses are performed on plate(s) containing Ag,Fe,Ar annealed at 550.0C to add O on 2017-01-18 from Analysis 20170118.111734

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170118.111734.copied-20170118222112175PST.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/7ngx-3f57/20170118.111734.copied-20170118222112175PST.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/36e8-3150
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing Bi,Mn,Sm,Co annealed at 725.0C to add O on 2015-06-23 from Analysis 20150623.112600

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20150623.112600.copied-20180926215215949PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/36e8-3150/20150623.112600.copied-20180926215215949PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/anw8-8w17
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Bi,Mn,Sb,V,Co annealed at 350.0C to add O on 2014-02-04 from Experiment 20140203.161500

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20140203.161500.copied-20180926174316824PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/anw8-8w17/20140203.161500.copied-20180926174316824PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/w946-hc08
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing Ni,Co,Ce,Gd annealed at 350.0C to add O on 2014-10-10 from Analysis 20141009.172700

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20141009.172700.copied-20180926195641909PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/w946-hc08/20141009.172700.copied-20180926195641909PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/r26h-q418
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing Ni,Fe,Co,Ce,Co annealed at 350.0C to add O on 2013-04-14 from Analysis 20130414.143945

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20130414.143945.copied-20180926155531192PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/r26h-q418/20130414.143945.copied-20180926155531192PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.17632/yzsfgz7sp6.1
title: RNA circles with minimized immunogenicity as potent PKR inhibitors

description: Detailed description of this data can be accessed in Liu et al. RNA circles with minimized immunogenicity as potent PKR inhibitors.
DOI: 10.25989/yhsv-2z58
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Bi,Mn,Sb,V,Co annealed at 550.0C to add O on 2014-02-04 from Experiment 20140203.161500

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20140203.161500.copied-20180926174336948PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/yhsv-2z58/20140203.161500.copied-20180926174336948PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/kcv6-s604
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing Ni,Ta,Co,Ce,Co annealed at 350.0C to add O on 2013-09-26 from Analysis 20130926.113900

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20130926.113900.copied-20180926165424270PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/kcv6-s604/20130926.113900.copied-20180926165424270PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.17632/mg5wj5d486.1
title: Bemidji Magnetics Dataset

description: This folder contains the magnetics data downloaded from the IRM facility.
DOI: 10.25989/vxd6-6929
title: Materials Experiment and Analysis Database: Inkjet chemical deposition analysis in which 0 sub-analyses are performed on plate(s) containing Ni,Mn,Co annealed at 750.0C to add O on 2017-08-09 from Analysis 20170809.155400

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170809.155400.copied-20180927013014490PDT.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/vxd6-6929/20170809.155400.copied-20180927013014490PDT.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/an8e-0z82
title: Materials Experiment and Analysis Database: X-ray fluorescence measurements collected from 1 run(s) performed on plate(s) containing Sn,Fe,Cu,Mn,Co,Ta annealed at 400.0C to add O on 2017-01-06 from Experiment 20170106.132913

description: Files available via S3 at https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/<br>20170106.132913.copied-20170106221105119PST.zip <a class="btn btn-xs piwik_download" 
            type="application/octet-stream" href="https://renc.osn.xsede.org/ini210004tommorrell/0_gregoire/an8e-0z82/20170106.132913.copied-20170106221105119PST.zip">
            <i class="fa fa-download"></i> Download</a>    <br>
description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.