Lv4
788 积分 2025-03-02 加入
Identification of a Novel Core Structure of Apo-Ido1 Inhibitors Through Virtual Screening and Preliminary Hit Optimization
2小时前
待确认
Machine-Learning-Driven Discovery of N-Phenylbenzenesulfonamides as a Novel Chemotype for Lactate Dehydrogenase A Inhibition with Anti-Pancreatic Cancer Activity
4天前
已完结
Biochemical, antimicrobial susceptibility and genotyping studies on Corynebacterium urealyticum isolates from diverse sources
16天前
已完结
Improving Quantum Chemical Solvation Models by Dynamic Radii Adjustment for Continuum Solvation (DRACO)
17天前
已完结
Convergent Protocols for Computing Protein–Ligand Interaction Energies Using Fragment-Based Quantum Chemistry
17天前
已完结
Toward Quantum Chemical Accuracy in Absolute Protein–Ligand Binding Free Energy Calculation via Quantum Fragment Method
17天前
已完结
Comparison of molecular mechanics-Poisson-Boltzmann surface area (MM-PBSA) and molecular mechanics-three-dimensional reference interaction site model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test
25天前
已完结
Ai-Driven Discovery of Brain-Penetrant Galectin-3 Inhibitors for Alzheimer's Disease Therapy
25天前
已完结
Folding-Based End-To-End Chemical Drug Design with Uncertainty Estimation: Tackling Hallucination in the Post-GPT Era
1个月前
已完结
Discovery of Potent STING Inhibitors Bearing a Difluorobenzodioxol Structural Motif as Potent Anti-Inflammatory Agents
2个月前
已完结
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