Fragment-based Discovery of New Potential DNMT1 Inhibitors Integrating Multiple Pharmacophore Modeling, 3D-QSAR, Virtual Screening, Molecular Docking, ADME, and Molecular Dynamics Simulation Approaches
Molecular diversity（2024）
Key words
DNMT1,Pharmacophore modeling,e-pharmacophore modeling,3D-QSAR,Molecular docking,Bioisosterism,R-group enumeration,Binding free energies,ADME,MD simulations
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