Lv5
906 积分 2024-03-22 加入
Electron-density informed effective and reliable de novo molecular design and lead optimization with ED2Mol
12天前
已完结
Informed protein–ligand docking via geodesic guidance in translational, rotational and torsional spaces
16天前
已完结
Large-scale chemical language representations capture molecular structure and properties
22天前
已完结
MMPK: A Multimodal Deep Learning Framework to Predict Human Oral Pharmacokinetic Parameters
22天前
已完结
RNA–ligand interaction scoring via data perturbation and augmentation modeling
2个月前
已完结
Generating 3D small binding molecules using shape-conditioned diffusion models with guidance
3个月前
已完结
Deep lead optimization enveloped in protein pocket and its application in designing potent and selective ligands targeting LTK protein
4个月前
已完结
Evolutionary Multiobjective Molecule Optimization in an Implicit Chemical Space
4个月前
已完结
Towards unveiling sensitive and decisive patterns in explainable AI with a case study in geometric deep learning
4个月前
已完结
Protein-ligand structure and affinity prediction in CASP16 using a geometric deep learning ensemble and flow matching
4个月前
已完结
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