Lv41
460 积分 2025-05-13 加入
Artificial intelligence–enabled virtual screening of ultra-large chemical libraries with deep docking
1小时前
已完结
Ultra-large library docking for discovering new chemotypes
1小时前
已完结
The Logic of Chemical Optimization
2个月前
已完结
MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution
2个月前
已完结
“Magic Chloro”: Profound Effects of the Chlorine Atom in Drug Discovery
2个月前
已完结
Toward a First-Principles Understanding of How Cells and Small-Molecule Drugs Work under Native Physiological Conditions
3个月前
已完结
Protein–peptide docking with a rational and accurate diffusion generative model
3个月前
已完结
Structural Optimization and MD Simulation Study of Benzimidazole Derivatives as Potent Mutant FLT3 Kinase Inhibitors Targeting AML
3个月前
已完结
Discovery of Small-Molecule Ligands for the E3 Ligase STUB1/CHIP from a DNA-Encoded Library Screen
3个月前
已完结
PLANET: A Multi-objective Graph Neural Network Model for Protein–Ligand Binding Affinity Prediction
3个月前
已完结
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