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Sergey Ovchinnikov@sokrypton
@LeoWanPhD @ranomics That being said, people have been finding that when the confidence of where and how it binds is low. It's less likely to work experimentally.
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Users agreed the ipTM and ipSAE metrics fail to predict protein binding affinity and asked what metrics should replace them for de novo filtering.
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Nikša Praljak@NPraljak
@sokrypton @LeoWanPhD @ranomics Right on the money! 🙌 @sokrypton what's the best substitute for ipTM/ipSAE for de novo filtering then? Do we train another ranking predictor on negative decoys? Should we expect this to ever generalize well?
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