dr. Sofie Van Damme
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Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes
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- Journal Article
- A1
- open access
Multidimensionality of delocalization indices and nucleus independent chemical shifts in polycyclic aromatic hydrocarbons, II : proof of further non-locality
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- Journal Article
- A1
- open access
3D QSAR based on conceptual DFT molecular fields : antituberculotic activity
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Conceptual DFT properties-based 3D QSAR : analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme
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- Conference Paper
- C3
- open access
The promise (or not) of quantum chemistry in QSAR