cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.34943/b3daf861-3534-42f6-88b4-bf4f78a9e271
title: Nanaimo Harbour - Descanso Bay Ferry Route Conductivity Temperature Depth Deployed 2026-02-12

description: The AML-3 RT A30131 was deployed on 2026-02-12 on Nanaimo Harbour - Descanso Bay Ferry Route. This ferry route goes between Nanaimo Harbour terminal in Nanaimo, BC and the Descanso Bay terminal on Gabriola Island, BC. This device is a Conductivity Temperature Depth. Conductivity Temperature Depth (CTD) is an instrument package that contains sensors for measuring the conductivity, temperature, and pressure of seawater. Salinity, sound velocity, depth and density are variables that can be derived from sensor measurements. CTDs can carry additional instruments and sensors such as oxygen sensors, turbidity sensors and fluorometers. It was deployed on a mobile platform. Data from this deployment were archived and made available through Ocean Networks Canada's Oceans 3.0 digital infrastructure, with quality assurance and derived data products following established practices.
DOI: 10.15468/dl.38xdkf
title: Occurrence Download

description: A dataset containing 120 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Luxemburgia damazioana",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is Fossil"
 ]
 }
 }
 ]
}

 The dataset includes 120 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017610-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wevzcj
title: Occurrence Download

description: A dataset containing 200531 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Apodemus sylvaticus"
 ]
}

 The dataset includes 200531 records from 1232 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0017564-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60712/si-id394152.1
title: StrainInfo SI-ID 394152.1

description: StrainInfo dataset 394152 about a strain of Sneathiella chungangensis. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id394185.1
title: StrainInfo SI-ID 394185.1

description: StrainInfo dataset 394185 about a strain of Convivina intestini. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id394198.1
title: StrainInfo SI-ID 394198.1

description: StrainInfo dataset 394198 about a strain of Bifidobacterium commune. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.15468/dl.nhdriy
title: Occurrence Download

description: A dataset containing 22 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Stellaria cuspidata Willd."
 ]
}

 The dataset includes 22 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002472-180824113759888/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.60712/si-id394240.1
title: StrainInfo SI-ID 394240.1

description: StrainInfo dataset 394240 about a strain of Listeria newyorkensis. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.60712/si-id393651.1
title: StrainInfo SI-ID 393651.1

description: StrainInfo dataset 393651 about a strain of Hafnia paralvei. StrainInfo is a service developed to provide a resolution of microbial strain identifiers by storing culture collection numbers, their relations, and culture-associated data. StrainInfo is part of NFDI4Microbiota consortium.
DOI: 10.15468/dl.bil63p
title: Occurrence Download

description: A dataset containing 8046816 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ericales"
 ]
}

 The dataset includes 8046816 records from 2733 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0005991-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c9aecf
title: Occurrence Download

description: A dataset containing 10007 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Thunnus obesus (Lowe, 1839)",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2025",
 "DecimalLatitude is greater than or equal to -90.0",
 "DecimalLatitude is less than or equal to 55.0",
 "DecimalLongitude is greater than or equal to -60.0",
 "DecimalLongitude is less than or equal to 40.0",
 "HasCoordinate is true"
 ]
}

 The dataset includes 10007 records from 23 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014196-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5ueccx
title: Occurrence Download

description: A dataset containing 27355 species occurrences available in GBIF matching the query:
{
 "and" : [
 "CoordinateUncertaintyInMeters 0.0-1000.0",
 "OccurrenceStatus is Present",
 "TaxonKey is Corydalis solida (L.) Clairv.",
 "Year 1970-2025"
 ]
}

 The dataset includes 27355 records from 179 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014195-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13020/kan6-be66
title: Supporting data for Strategies toward renewable and compostable intravenous bag materials

description: This work evaluated two thermoplastic elastomers derived from bio-renewable 4-methylcaprolactone as sustainable IV bag material candidates.
description: These files contain primary data along with associated output from instrumentation supporting all results reported in Krajovic et al. Strategies toward renewable and compostable intravenous bag materials. The files are organized by figure/table number--that is, the data used to generate each figure or table can be found in the folder whose title is that figure or table's name. There is also a folder entitled "POM images of film fragments" containing POM images that supported calculations as detailed in the Supporting Information. All file types are in .txt, .csv, .xls., .xlsx, or .tiff format. The techniques used to generate data in this study include nuclear magnetic resonance (NMR) spectroscopy, size exclusion chromatography (SEC), uniaxial tensile testing, differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), X-ray scattering, and polarized optical microscopy (POM). Additional information regarding the dataset's contents can be found in the README file.
DOI: 10.15468/dl.mtmtjx
title: Occurrence Download

description: A dataset containing 9299436 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is NMNH Extant Specimen Records (USNM, US)"
 ]
}

 The dataset includes 9299436 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010333-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.e98yx7
title: Occurrence Download

description: A dataset containing 37094 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Holocentrus adscensionis",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 37094 records from 163 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010336-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.aqyfzy
title: Occurrence Download

description: A dataset containing 58 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Ecuador",
 "Geometry POLYGON((-96.19666 -8.58488,-60.80334 -8.58488,-60.80334 5.58488,-96.19666 5.58488,-96.19666 -8.58488))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "PublishingOrg is one of (90fd6680-349f-11d8-aa2d-b8a03c50a862, 2e149736-4cc6-44d4-a068-ccb2041baf75, 33d232b5-5cc2-4521-8bd6-121c5bb41c32, 8e1a97a0-3ca8-11d9-8439-b8a03c50a862, 4e11d750-bafb-11d9-8e53-b8a03c50a862, 0363cbd4-f666-455e-8e86-0bbddcf51950, 7b8aff00-a9f8-11d8-944b-b8a03c50a862, 9661d20d-86b6-4485-8948-f3c86b022fa7, ae447c50-b8a8-11d8-92a4-b8a03c50a862)",
 "TaxonKey is Berberis pichinchensis"
 ]
}

 The dataset includes 58 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010335-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pfcwq4
title: Occurrence Download

description: A dataset containing 5994 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Myripristis berndti",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 5994 records from 122 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010337-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.10261345
title: MD simulation of POPI-POPE (40:60) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPE(40:60) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (40:60) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 80

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10261344
title: MD simulation of POPI-POPE (40:60) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPE(40:60) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (40:60) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 80

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10280829
title: MD simulation of POPI-POPE (20:80) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPE (20:80) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (20:80) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 40

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.15468/dl.24eb7a
title: Occurrence Download

description: A dataset containing 2042 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Myripristis violacea",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 2042 records from 84 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0010339-251025141854904/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.10280828
title: MD simulation of POPI-POPE (20:80) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPE (20:80) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (20:80) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 40

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10260375
title: MD simulation of POPI-POPE (60:40) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI-POPE (60:40) bilayer in CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (60:40) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 120

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10260376
title: MD simulation of POPI-POPE (60:40) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI-POPE (60:40) bilayer in CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPE (60:40) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 120

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10259847
title: MD simulation of POPI-POPE (80:20) bilayer with CHARMM36 force field

description: Dataset contains simulation files  of MD simulation of POPI-POPE (80:20) bilayer in CHARMM36 force field with neutralizing NH4+ ions.

System: POPI-POPE (80:20) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 160

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 200 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10259846
title: MD simulation of POPI-POPE (80:20) bilayer with CHARMM36 force field

description: Dataset contains simulation files  of MD simulation of POPI-POPE (80:20) bilayer in CHARMM36 force field with neutralizing NH4+ ions.

System: POPI-POPE (80:20) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 160

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 200 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.15427930
title: Estrategia de entrenamiento físico en pacientes isquemicos con disfunción del ventrículo izquierdo.

description: Se efectuará un estudio prospectivo, intervencionista, longitudinal con un método probabilístico no aleatorio, dónde el universo de estudio serán todos los pacientes isquemicos que asistan a consulta de rehabilitación cardiovascular y cumplan los criterios de inclusion. Estos serán sometidos a un programa de entrenamiento físico durante 12 semanas y se les medirá el NTpro-BNP en sangre
DOI: 10.5281/zenodo.10259002
title: MD simulation of POPI-POPC (20:80) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPC (20:80) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (20:80) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 40

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10259001
title: MD simulation of POPI-POPC (20:80) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPC (20:80) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (20:80) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 40

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10255809
title: MD simulation of POPI-POPC (40:60) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPC (40:60) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (40:60) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 80

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10255810
title: MD simulation of POPI-POPC (40:60) bilayer with CHARMM36 force field

description: Dataset contains simulation files MD simulation of of POPI-POPC (40:60) bilayer with CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (40:60) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 80

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10254558
title: MD simulation of POPI-POPC (60:40) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI-POPC (60:40) bilayer in CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (60:40) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 120

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10254557
title: MD simulation of POPI-POPC (60:40) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI-POPC (60:40) bilayer in CHARMM36 force field with neutralizing NH4+ ions 

System: POPI-POPC (60:40) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 120

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 100 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10253820
title: MD simulation of POPI-POPC (80:20) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation of POPI-POPC (80:20) bilayer in CHARMM36 force field with neutralizing NH4+ ions.

 

System: POPI-POPC (80:20) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 160

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10253819
title: MD simulation of POPI-POPC (80:20) bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation of POPI-POPC (80:20) bilayer in CHARMM36 force field with neutralizing NH4+ ions.

 

System: POPI-POPC (80:20) bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 160

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10242898
title: MD simulation of POPI bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI bilayer in CHARMM36 force field with neutralizing NH4+ ions 

 

System: POPI bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 200

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns
DOI: 10.5281/zenodo.10242899
title: MD simulation of POPI bilayer with CHARMM36 force field

description: Dataset contains simulation files of MD simulation with POPI bilayer in CHARMM36 force field with neutralizing NH4+ ions 

 

System: POPI bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 10000

Salt: Neutralizing NH4+

Number of cations: 200

Simulation time: 500 ns

Sampling rate: every 10 ps

Simulation engine: GROMACS 2022.4

Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023)

Temperature: 310 K

Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid)

Pre-equilibration: 2.8 ns