Prediction of pKa values using the PM6 semiempirical method
Research output: Contribution to journal › Journal article › Research › peer-review
Documents
- Kromann_2016_Prediction_of_pKa
Final published version, 1.39 MB, PDF document
| Original language | English |
|---|---|
| Article number | e2335 |
| Journal | PeerJ |
| Volume | 4 |
| Number of pages | 16 |
| ISSN | 2167-8359 |
| DOIs | |
| Publication status | Published - 2016 |
- Electronic structure, pKa prediction, Semiempirical methods, Drug design
Research areas
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ID: 166012041