Structures of procathepsin K-glycosaminoglycan complexes relevant for the zymogen maturation
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资源简介：
The dataset contains three clusters of glycosaminoglycan structures obtained from molecular docking for each glycosaminoglycan type. Topology files and initial coordinates in the ff14SB/GLYCAM06j-1 force field used for all molecular dynamics simulations are also provided. In addition, scripts for structural analysis of these systems are included.
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Zenodo创建时间：
2026-04-15
