Overview of the SAMPL6 pKa challenge: evaluating small molecule microscopic and macroscopic pKa predictions
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| Description | scientific article published on 04 January 2021 |
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author: Andrea Rizzi Mehtap Işık M R Gunner David L. Mobley Ariën S Rustenburg John D. Chodera |
| Publication date | January 4, 2021 |
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