Toward experiment-guided AlphaFold: Researchers overcome AI tool's single-conformation limitation

The AI-based program AlphaFold predicts a protein's 3D structure with remarkable accuracy. However, it tends to reduce heterogeneous structures to a single dominant conformation, or shape, and ...
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An Open-source Drug Discovery Engine

OpenDDE is a preview release. CLI flags, input/output JSON fields, and released checkpoints may change between versions, and predictions are not guaranteed to be reproducible across releases. It is ...