Author

Chao Shen

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Open access Oct 2026

TINA: a geometry-aware post-hoc scoring framework for protein-protein interaction.

Accurate identification of the most native-like conformation remains a critical bottleneck in protein complex structure prediction, particularly when multiple globally plausible candidate models are generated by deep learning methods such as AlphaFold3 (AF3). While AF3 provides internal confidence metrics such as ipTM...

Lin-Long Jiang, Yu-Rong Li, Qun Su et al. · Acta Pharmacologica Sinica · 0 citations

#artificial intelligence Review Jun 2026

Facilitating structure-based drug discovery with an artificial intelligence-driven virtual screening platform.

The Comprehensive VS Platform with AI Engine (CVSP-AIE) for drug discovery from compound libraries integrates three AI models: KarmaDock, a fast docking model that directly updates atomic coordinates; CarsiDock, an accurate docking model that predicts protein-ligand distances and reconstructs binding poses; and RTMScor...

Shu-kai Gu, Xujun Zhang, Mengwu Xiao et al. · Nature Protocols · 1 citation