UniSite: The First Cross-Structure Dataset and Learning Framework for End-to-End Ligand Binding Site Detection

NeurIPSSpotlight2025

Authors
Jigang Fan, QuanLin Wu, Shengjie Luo, Liwei Wang
Venue
NeurIPS 2025
Track
Spotlight

TL;DR

The detection of ligand binding sites for proteins is a fundamental step in Structure-Based Drug Design…

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Topics

dataset protein drug gan

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