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

Author

Shuo Wang

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#protein folding Sep 2026

Integrated AI-Driven Multi-Objective Optimization of Sulfamoylbenzamide-Based HBV Capsid Assembly Modulators: Discovery of 11B-6 with Superior Potency and Drug-like Properties

Current capsid assembly modulators (CAMs) require improvements in antiviral potency and drug-like properties. Herein, we report a multi-objective optimization workflow for the NVR 3-778 by integrating structure-based fragment growing with systematic medicinal chemistry optimization, activity prediction, and multitask...

Shuo Wang, Miao-Chen Xu, Fei-Yue Ma et al. · 0 citations

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