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Holo-like and druggable protein conformations from enhanced sampling of binding pocket volume and shape

1 Pith paper cite this work. Polarity classification is still indexing.

1 Pith paper citing it

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q-bio.BM 1

years

2025 1

verdicts

CONDITIONAL 1

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Sesame: Opening the door to protein pockets

q-bio.BM · 2025-08-21 · conditional · novelty 6.0

Sesame uses flow matching to turn apo protein backbones into holo-like backbones, outperforming a Schrödinger-bridge baseline on geometric benchmarks but with limited docking validation.

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  • Sesame: Opening the door to protein pockets q-bio.BM · 2025-08-21 · conditional · none · ref 4

    Sesame uses flow matching to turn apo protein backbones into holo-like backbones, outperforming a Schrödinger-bridge baseline on geometric benchmarks but with limited docking validation.