Next-Gen Drug Design...(examples)
- Anti-inflamatory drugs
- Anti-hypertension drugs
- Anti-viral therapies
- Neurologic disorders (e.g., Parkinson's Disease, etc.)
- Anti-venoms/biotoxins
- Anti-bacterial agents
- Drug repurposing
| Functional Polymer Materials...(example)
- Permselective polymers for drug sequestration and delivery
- Polymer-drug interactions
- Drug permeation and diffusion
- Drug penetration & loading
- Polymer property modeling
- Molecular dynamics of drugs
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Small-Molecule QM/MM Reaction Modeling...(example)
- Non-equilibrium hybrid QM/MM molecular dynamics with solvent background
- Molecular reaction mechanisms
- Oxidative degradation products
- Disinfection byproduct formation
- Surface-mediated catalysis
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