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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

J. Lam

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#protein folding Open access Sep 2026

Multiparadigm Benchmark of Molecular Docking: From Physics to Co-Folding and Hybrid Models

This work systematically benchmarked several molecular docking tools representing all-atom models, highlighting the complementarity of AI-based approaches and methods based on physical sampling in all-atom models, in terms of their applicability range, and argues for the benefits of tighter integration.

Ao Xu, J. Lam, A. Nakano et al. · 0 citations
Book Jul 2026

Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion

To the knowledge, RELIABLE-BA is the first multi-engine binding affinity prediction framework to combine evidential fusion with context-dependent reliability, offering a principled path toward trustworthy AI-guided drug discovery.

Yongchan Hong, Defu Cao, Wenjin Liu et al. · 0 citations

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