From Network Topology to Atomic Dynamics: An Integrative Computational Strategy Decodes the Structural Basis of PFAS Toxicity in Osteoporosis and Osteosarcoma

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Authors: Mao-Dan Nie, Tianfei Ran, Huang, Zebing, Chao Zhang, Changqing li
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Abstract

Supporting data for the manuscript submitted to JCIM. This dataset contains molecular dynamics simulation input files (GROMACS) and molecular docking parameters.

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
6 January 2026
Document type
Dataset