Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'

This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and double decoupling simula...

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Bibliographic Details
Main Authors: Markthaler, Daniel, Hansen, Niels
Format: Dataset
Language:unknown
Published: DaRUS 2021
Subjects:
Antarc*
Antarctica
Online Access:https://dx.doi.org/10.18419/darus-2104
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-2104
id ftdatacite:10.18419/darus-2104
record_format openpolar
spelling ftdatacite:10.18419/darus-2104 2023-05-15T13:48:13+02:00 Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B' Markthaler, Daniel Hansen, Niels 2021 https://dx.doi.org/10.18419/darus-2104 https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-2104 unknown DaRUS https://dx.doi.org/10.18419/darus-2104/1 https://dx.doi.org/10.18419/darus-2104/2 dataset Dataset 2021 ftdatacite https://doi.org/10.18419/darus-2104 https://doi.org/10.18419/darus-2104/1 https://doi.org/10.18419/darus-2104/2 2022-02-08T14:57:16Z This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and double decoupling simulations. Dataset Antarc* Antarctica DataCite Metadata Store (German National Library of Science and Technology)
institution Open Polar
collection DataCite Metadata Store (German National Library of Science and Technology)
op_collection_id ftdatacite
language unknown
description This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and double decoupling simulations.
format Dataset
author Markthaler, Daniel
Hansen, Niels
spellingShingle Markthaler, Daniel
Hansen, Niels
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
author_facet Markthaler, Daniel
Hansen, Niels
author_sort Markthaler, Daniel
title Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
title_short Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
title_full Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
title_fullStr Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
title_full_unstemmed Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
title_sort supplementary material for 'umbrella sampling and double decoupling data for methanol binding to candida antarctica lipase b'
publisher DaRUS
publishDate 2021
url https://dx.doi.org/10.18419/darus-2104
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/darus-2104
genre Antarc*
Antarctica
genre_facet Antarc*
Antarctica
op_relation https://dx.doi.org/10.18419/darus-2104/1
https://dx.doi.org/10.18419/darus-2104/2
op_doi https://doi.org/10.18419/darus-2104
https://doi.org/10.18419/darus-2104/1
https://doi.org/10.18419/darus-2104/2
_version_ 1766248996963090432

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