Lv11
40 积分 2025-01-13 加入
Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4
14天前
已完结
Accelerating Scaffold Hopping in Fourth-Generation Epidermal Growth Factor Receptor Inhibitors via Multilevel Virtual Screening
14天前
已完结
A Novel Small Molecule Allosteric Inhibitor of IL-17A from a DNA-Encoded Library
14天前
已完结
Discovery and Characterization of Novel PIM1 Inhibitors via Virtual Screening and Molecular Dynamics Simulations
14天前
已完结
Target-specific de novo design of drug candidate molecules with graph-transformer-based generative adversarial networks
14天前
已完结
FGF-based drug discovery: advances and challenges
1个月前
已完结
Discovery of natural RORγt inhibitor using machine learning, virtual screening, and in vivo validation
1个月前
已完结
Pharmacophore-oriented 3D molecular generation toward efficient feature-customized drug discovery
1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
1个月前
已完结
Discovery of α-mangostin derivatives as novel PDE4 inhibitors for the treatment of Alzheimer's disease: An artificial intelligence-driven synergized strategy
1个月前
已完结
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