Rac1b and Rac1 all-atom simulations

Rac1b and Rac1 all-atom simulations

File Extensions: filename.parm7: Refers to topology files.filename.rst7: Refers to Amber format coordinates.filename.gro: Refers to Gromacs format coordinates. File Naming Convention: The term "monomer" in the file names refers to the ELMO1:DOCK5:Rac1/Rac1b-GDP complex.  The files named &q...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Hauptverfasser: Parise, Angela, Cresca, Sofia, Magistrato, Alessandra
Format: Dataset
Sprache:eng
Online-Zugang:Volltext bestellen
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue
container_start_page
container_title
container_volume
creator Parise, Angela
Cresca, Sofia
Magistrato, Alessandra
description File Extensions: filename.parm7: Refers to topology files.filename.rst7: Refers to Amber format coordinates.filename.gro: Refers to Gromacs format coordinates. File Naming Convention: The term "monomer" in the file names refers to the ELMO1:DOCK5:Rac1/Rac1b-GDP complex.  The files named "NCIs_${complex_name}_prolif.ipynb" refer to the scripts used to assess noncovalent interactions between proteins in each considered system, by using  ProLIF (Bouysset, C.; Fiorucci, S., J Cheminform, 2021, 13, 72.) In our paper, we analyzed 500 frames for each system trajectory. However, to conserve storage space on Zenodo, we uploaded only every 10th frame from each trajectory. As a result, the trajectories were reduced from 500 frames to 50 frames.
doi_str_mv 10.5281/zenodo.13165256
format Dataset
fullrecord <record><control><sourceid>datacite_PQ8</sourceid><recordid>TN_cdi_datacite_primary_10_5281_zenodo_13165256</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_5281_zenodo_13165256</sourcerecordid><originalsourceid>FETCH-datacite_primary_10_5281_zenodo_131652563</originalsourceid><addsrcrecordid>eNpjYBA3NNAzNbIw1K9KzctPydczNDY0MzUyNeNkUA5KTDZMUkjMS1EAsRQSc3J0E0vycxWKM3NLcxJLMvPzinkYWNMSc4pTeaE0N4O-m2uIs4duSmJJYnJmSWp8QVFmbmJRZbyhQTzImniINfEwa4xJ1wEAXig11Q</addsrcrecordid><sourcetype>Publisher</sourcetype><iscdi>true</iscdi><recordtype>dataset</recordtype></control><display><type>dataset</type><title>Rac1b and Rac1 all-atom simulations</title><source>DataCite</source><creator>Parise, Angela ; Cresca, Sofia ; Magistrato, Alessandra</creator><creatorcontrib>Parise, Angela ; Cresca, Sofia ; Magistrato, Alessandra</creatorcontrib><description>File Extensions: filename.parm7: Refers to topology files.filename.rst7: Refers to Amber format coordinates.filename.gro: Refers to Gromacs format coordinates. File Naming Convention: The term "monomer" in the file names refers to the ELMO1:DOCK5:Rac1/Rac1b-GDP complex.  The files named "NCIs_${complex_name}_prolif.ipynb" refer to the scripts used to assess noncovalent interactions between proteins in each considered system, by using  ProLIF (Bouysset, C.; Fiorucci, S., J Cheminform, 2021, 13, 72.) In our paper, we analyzed 500 frames for each system trajectory. However, to conserve storage space on Zenodo, we uploaded only every 10th frame from each trajectory. As a result, the trajectories were reduced from 500 frames to 50 frames.</description><identifier>DOI: 10.5281/zenodo.13165256</identifier><language>eng</language><publisher>Zenodo</publisher><creationdate>2024</creationdate><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>780,1894</link.rule.ids><linktorsrc>$$Uhttps://commons.datacite.org/doi.org/10.5281/zenodo.13165256$$EView_record_in_DataCite.org$$FView_record_in_$$GDataCite.org$$Hfree_for_read</linktorsrc></links><search><creatorcontrib>Parise, Angela</creatorcontrib><creatorcontrib>Cresca, Sofia</creatorcontrib><creatorcontrib>Magistrato, Alessandra</creatorcontrib><title>Rac1b and Rac1 all-atom simulations</title><description>File Extensions: filename.parm7: Refers to topology files.filename.rst7: Refers to Amber format coordinates.filename.gro: Refers to Gromacs format coordinates. File Naming Convention: The term "monomer" in the file names refers to the ELMO1:DOCK5:Rac1/Rac1b-GDP complex.  The files named "NCIs_${complex_name}_prolif.ipynb" refer to the scripts used to assess noncovalent interactions between proteins in each considered system, by using  ProLIF (Bouysset, C.; Fiorucci, S., J Cheminform, 2021, 13, 72.) In our paper, we analyzed 500 frames for each system trajectory. However, to conserve storage space on Zenodo, we uploaded only every 10th frame from each trajectory. As a result, the trajectories were reduced from 500 frames to 50 frames.</description><fulltext>true</fulltext><rsrctype>dataset</rsrctype><creationdate>2024</creationdate><recordtype>dataset</recordtype><sourceid>PQ8</sourceid><recordid>eNpjYBA3NNAzNbIw1K9KzctPydczNDY0MzUyNeNkUA5KTDZMUkjMS1EAsRQSc3J0E0vycxWKM3NLcxJLMvPzinkYWNMSc4pTeaE0N4O-m2uIs4duSmJJYnJmSWp8QVFmbmJRZbyhQTzImniINfEwa4xJ1wEAXig11Q</recordid><startdate>20240802</startdate><enddate>20240802</enddate><creator>Parise, Angela</creator><creator>Cresca, Sofia</creator><creator>Magistrato, Alessandra</creator><general>Zenodo</general><scope>DYCCY</scope><scope>PQ8</scope></search><sort><creationdate>20240802</creationdate><title>Rac1b and Rac1 all-atom simulations</title><author>Parise, Angela ; Cresca, Sofia ; Magistrato, Alessandra</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-datacite_primary_10_5281_zenodo_131652563</frbrgroupid><rsrctype>datasets</rsrctype><prefilter>datasets</prefilter><language>eng</language><creationdate>2024</creationdate><toplevel>online_resources</toplevel><creatorcontrib>Parise, Angela</creatorcontrib><creatorcontrib>Cresca, Sofia</creatorcontrib><creatorcontrib>Magistrato, Alessandra</creatorcontrib><collection>DataCite (Open Access)</collection><collection>DataCite</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Parise, Angela</au><au>Cresca, Sofia</au><au>Magistrato, Alessandra</au><format>book</format><genre>unknown</genre><ristype>DATA</ristype><title>Rac1b and Rac1 all-atom simulations</title><date>2024-08-02</date><risdate>2024</risdate><abstract>File Extensions: filename.parm7: Refers to topology files.filename.rst7: Refers to Amber format coordinates.filename.gro: Refers to Gromacs format coordinates. File Naming Convention: The term "monomer" in the file names refers to the ELMO1:DOCK5:Rac1/Rac1b-GDP complex.  The files named "NCIs_${complex_name}_prolif.ipynb" refer to the scripts used to assess noncovalent interactions between proteins in each considered system, by using  ProLIF (Bouysset, C.; Fiorucci, S., J Cheminform, 2021, 13, 72.) In our paper, we analyzed 500 frames for each system trajectory. However, to conserve storage space on Zenodo, we uploaded only every 10th frame from each trajectory. As a result, the trajectories were reduced from 500 frames to 50 frames.</abstract><pub>Zenodo</pub><doi>10.5281/zenodo.13165256</doi><oa>free_for_read</oa></addata></record>
fulltext fulltext_linktorsrc
identifier DOI: 10.5281/zenodo.13165256
ispartof
issn
language eng
recordid cdi_datacite_primary_10_5281_zenodo_13165256
source DataCite
title Rac1b and Rac1 all-atom simulations
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-01T17%3A58%3A41IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-datacite_PQ8&rft_val_fmt=info:ofi/fmt:kev:mtx:book&rft.genre=unknown&rft.au=Parise,%20Angela&rft.date=2024-08-02&rft_id=info:doi/10.5281/zenodo.13165256&rft_dat=%3Cdatacite_PQ8%3E10_5281_zenodo_13165256%3C/datacite_PQ8%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true