Lv31
286 积分 2025-06-08 加入
Bridging three-dimensional molecular structures and artificial intelligence with a conformation description language
2小时前
已完结
Computational Methods for Predicting Chemical Reactivity of Covalent Compounds
1个月前
已完结
Cov_DOX: A Method for Structure Prediction of Covalent Protein–Ligand Bindings
1个月前
已完结
DiffDec: Structure-Aware Scaffold Decoration with an End-to-End Diffusion Model
2个月前
已完结
DeepDegradome: A structure-aware deep learning framework for PROTAC and ligand generation against protein targets
3个月前
已完结
Unraveling ancient wisdom: The molecular mechanism of Gujin Luyan Xuming decoction in combating cerebral ischemia-reperfusion injury
3个月前
已完结
De Novo Molecular Design via Shape-Constrained Diffusion Models
4个月前
已完结
SynFrag: Synthetic Accessibility Predictor Based on Fragment Assembly Generation in Drug Discovery
4个月前
已完结
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
4个月前
已完结
Insights into Protein–Ligand Noncovalent Interaction Networks: A Database Survey and Quantum Chemistry Calculation Study
4个月前
已完结
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