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264 积分 2025-06-08 加入
DeepDegradome: A structure-aware deep learning framework for PROTAC and ligand generation against protein targets
5小时前
已完结
Unraveling ancient wisdom: The molecular mechanism of Gujin Luyan Xuming decoction in combating cerebral ischemia-reperfusion injury
13天前
已完结
De Novo Molecular Design via Shape-Constrained Diffusion Models
29天前
已完结
SynFrag: Synthetic Accessibility Predictor Based on Fragment Assembly Generation in Drug Discovery
29天前
已完结
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
1个月前
已完结
Insights into Protein–Ligand Noncovalent Interaction Networks: A Database Survey and Quantum Chemistry Calculation Study
1个月前
已完结
TCM-Agent: Advancing Network Pharmacology and Herbal Medicine Discovery with LLM-Based Multi-Agent Systems
2个月前
已完结
TANGO: direct optimization of constrained synthesizability for generative molecular design
2个月前
已完结
Benchmarking co-folding methods to predict the structures of covalent protein–ligand complexes
2个月前
已完结
Deep contrastive learning enables genome-wide virtual screening
4个月前
已完结
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