Artykuł w czasopiśmie
Brak miniatury
Licencja
CC-BYCC-BY - Uznanie autorstwa
 

CABS-flex standalone: a simulation environment for fast modeling of protein flexibility

Uproszczony widok
dc.abstract.enCABS-flex standalone is a Python package for fast simulations of protein structure flexibility. The package combines simulations of protein dynamics using CABS coarse-grained protein model with the reconstruction of selected models to all-atom representation and analysis of modeling results. CABS-flex standalone is designed to allow for command-line access to the CABS computations and complete control over simulation process. CABS-flex standalone is equipped with features such as: modeling of multimeric and large-size protein systems, contact map visualizations, analysis of similarities to the reference structure and configurable modeling protocol. For instance, the user may modify the simulation parameters, distance restraints, structural clustering scheme or all-atom reconstruction parameters. With these features CABS-flex standalone can be easily incorporated into other methodologies of structural biology.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorCiemny, Maciej Paweł
dc.contributor.authorKmiecik, Sebastian
dc.contributor.authorKoliński, Andrzej
dc.contributor.authorKurciński, Mateusz
dc.contributor.authorOleniecki, Tymoteusz
dc.contributor.authorKuriata, Aleksander
dc.date.accessioned2024-01-24T18:57:48Z
dc.date.available2024-01-24T18:57:48Z
dc.date.issued2019
dc.description.accesstimeAT_PUBLICATION
dc.description.financeNie dotyczy
dc.description.number4
dc.description.versionFINAL_PUBLISHED
dc.description.volume35
dc.identifier.doi10.1093/BIOINFORMATICS/BTY685
dc.identifier.issn1367-4803
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/102638
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofBioinformatics
dc.relation.pages694-695
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleCABS-flex standalone: a simulation environment for fast modeling of protein flexibility
dc.typeJournalArticle
dspace.entity.typePublication