Work

Molecular Dynamics Simulations Data for GPX4 Inhibition by Metamizole and its primary metabolite MAA

Year: 2026

Type: dataset

Abstract: This repository contains molecular docking input/coordinate files and Desmond MD simulation parameters/outputs for GPX4-metamizole and GPX4-MAA protein-ligand complexes.

Source: Zenodo (CERN European Organization for Nuclear Research)

DOI: 10.5281/zenodo.22161146

Authors: Varinca Yildiz, Seyma, Baday, Sefer

Institution: Istanbul Technical University

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W7204647339

Cites:

Cited by:

Related to: 8