AI-driven Pathogen Genomics (PathGennie)
In December 2025, the Ministry of Science and Technology unveiled PathGennie, a new open-source computational software that significantly accelerates drug discovery by accurately simulating drug–protein unbinding.
- Developed at S. N. Bose National Centre for Basic Sciences, Kolkata, PathGennie (2026) is an AI-enabled computational framework designed for simulating molecular interactions, supporting drug discovery and pathogen-related genomic research.
Mode of Working
- Instead of forcing molecules to move, the software lets them move naturally.
- It runs many tiny, short simulations at the same time to see which ones head in the right direction.
- Only the useful paths are continued, while the rest are stopped, ....
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