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iPPI-REINVENT

PPI-inhibitor candidate library generation with REINVENT and QEPPI

• QEPPI-based virtual library (11,252 compounds)
  • csv
  • sdf

https://github.com/ohuelab/iPPI-REINVENT/assets/2476893/854e5048-658f-4ca7-aea4-a4102d473f19

Ohue M, Kojima Y, Kosugi T. Generating potential protein-protein interaction inhibitor molecules based on physicochemical properties. Molecules, 28(15): 5652, 2023. https://doi.org/10.3390/molecules28155652