Divergent Side-Chain Networks of the Mineralocorticoid Receptor Control Mutation-Altered Drug Response

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Marcel Bermúdez, Johannes Jokiel
DOI: 10.5281/zenodo.18269345
Cited by: 0

Abstract

This dataset contains the MD trajectories for the folowing project: Divergent Side-Chain Networks of the Mineralocorticoid Receptor Control Mutation-Altered Drug Response.The dataset contains the trajectories of simulations of the Mineralocorticoid receptor and its S810L mutation in complex with eplerenon and finerenon.Each complex was simulated in triplicates for 500 ns each and consits of 1.000 frames each.

Fields of Study & Subjects

Protein Structure and Dynamics Computational Drug Discovery Methods Receptor Mechanisms and Signaling

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
16 January 2026
Document type
Dataset