Work

MD simulation data of apo GPX4 protein

Year: 2026

Type: dataset

Abstract: This repository contains simulation configuration files, trajectories, representative conformations from the clustering analysis for MD simulations of GPX4 protein. Clusters.zip file contains representative conformations obtained by the clustering analysis of the merging five 1000ns long replica simulations. Production_rep.pdb files contains simulation raw trajectory information.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.21947484

Authors: Kemaloğlu, Fatih, Baday, Sefer

Institution: Istanbul Technical University

Language: English

Topic: Protein Structure and Dynamics

Subfield: Molecular Biology

Field: Biochemistry, Genetics and Molecular Biology

Domain: Life Sciences

Open Access status: green

OpenAlex ID: W7203570631

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