Data and analysis scripts for "Conformational and molecular interactions of small molecules targeting the SAM-I riboswitch"
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资源简介：
The files are part of the simulations for the SAM-I Riboswitch RNA. The dataset contains: Molecular dynamics trajectories (xtc) and structural files (pdb) for five RNA-ligand systems (with 5 replicas each) tpr files (with and without water molecules) Analysis scripts for Rg, RMSD, RMSF, COM, H-Bond (occupancy and time series), pi-stacking and distance of sulfur analysis
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Zenodo创建时间：
2026-03-28
