200ns Molecular Dynamic Simulation files for 'Src kinase app' paper
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This is the 200 nanosecond molecular dynamics simulation file for the paper authored by Mohamed Abdelalim, titled: Src kinase app: valid inhibitor generation and prediction with explanation using predictive model and selfies Each file contains 40 trajectories, and each trajectory consists of 5 nanoseconds, which can be concatenated into one 200 nanoseconds file. This shows an evidence that the generated compounds fit well inside the protein cavity
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Zenodo创建时间：
2026-03-28
