The simulation data for "Structural insights into the ligand modulation of MRGPRX4 conformational plasticity"
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This repository contains the topology and trajectory files for all molecular dynamics simulations of the MRGPRX4 in four distinct states. In the article entitled "Structural insights into the ligand modulation of MRGPRX4 conformational plasticity", the apo state corresponds to MRGPRX4_apo.zip in this dataset, the cmpd54-4-bound state to MRGPRX4_YL327_bound.zip, the DEX-P-absent state to MRGPRX4_DEX_absent.zip, and the DEX-P-bound state to MRGPRX4_DEX_bound.zip.
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Zenodo创建时间：
2026-06-11
