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Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"

Name: Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"
Creator: Giuseppe Deganutti
Keywords: G protein-coupled receptors, supervised molecular dynamics (SuMD)

Research datakeyboard_double_arrow_right Dataset 17 May 2023Publisher:Zenodo

Authors: Giuseppe Deganutti;

doi: 10.5281/zenodo.7944479 , 10.5281/zenodo.7351547 , 10.5281/zenodo.7944504

Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"

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Abstract

MD trajectories relative to the preprint "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)" For a summary of all the simulations performed and the settings employed see Table S1 of the preprint: https://www.biorxiv.org/content/10.1101/2022.10.26.513870v1

{"references": ["Deganutti, G. et al; BioRxiv. 2022 Oct 27 DOI: 10.1101/2022.10.26.513870"]}

Related Organizations

Coventry University
United Kingdom

Keywords

G protein-coupled receptors, supervised molecular dynamics (SuMD)

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Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"

Updated MD trajectories for "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)"

2 Research products, page 1 of 1

MD trajectories - "Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)" - https://www.biorxiv.org/content/10.1101/2022.10.26.513870v1

Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)