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News/Binding Mode Matters: Hotspot-Aware Drug Discovery via Explorative Preferences
arxiv
PublishedNovember 14, 2026 at 5:00 AM

Binding Mode Matters: Hotspot-Aware Drug Discovery via Explorative Preferences

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arXiv:2611.14956v1 Announce Type: cross Abstract: Discovering hit molecules requires not just high binding affinity, but also the identification of diverse binding modes, which are critical for experimental assays. Existing generative approaches have predominantly relied on optimizing a scalar docki

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