Data for Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein

Name: Data for Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein
Creator: Yanxiao Han
Published: 2024-10-24T18:36:18.977Z
Keywords: Molecular Dynamics Study

Han, Yanxiao; Dawson, John; Demarco, Kevin; Rouen, Kyle; ngo, Khoa; Bekker, Slava; Yarov-Yarovoy, Vladimir; Clancy, Colleen; Xiang, Yang; Ahn, Surl-hee; Vorobyov, Igor

doi:10.17632/bzmyszrwby.1

Data for Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein

Published: 24 October 2024| Version 1 | DOI: 10.17632/bzmyszrwby.1

Contributors:

Yanxiao Han, John Dawson, Kevin Demarco, Kyle Rouen, Khoa ngo, Slava Bekker, Vladimir Yarov-Yarovoy, Colleen Clancy, Yang Xiang, Surl-hee Ahn, Igor Vorobyov

Description

This dataset include all the input, output, and parameter files, as well as short trajectories for the systems we simulated in out paper "Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein". It includes systems: b1AR-NE, b1AR-Gs, b1AR-Gs-GTP1, b1AR-Gs-GTP2, b1AR-Gs-GDP1, b1AR-Gs-GDP2, b2AR-NE, b2AR-Gs, b2AR-Gs-GTP1, b2AR-Gs-GTP2, b2AR-Gs-GDP1, b2AR-Gs-GDP2. The dataset for part of b2AR-NE and b2AR-Gs can be found in another published dataset: https://doi.org/10.25338/B89H1T

Data for Molecular simulations reveal intricate coupling between agonist-bound β-Adrenergic Receptors and G Protein

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