Personal Webpage of NTIE KANG Fidele
- Computer-aided drug design and discovery (Database development, in silico pharmacokinetics determination, QSAR, pharmacophore modeling, protein-ligand docking, virtual screening, molecular dynamics, binding mode analysis).
- Ab initio modeling of compounds with interesting antioxidant properties (HF, DFT, TDDFT).
- Environmental modeling and eco-toxicity
- Applications of computational modeling in oil and gas industry