Quantum–mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?
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| Title: | Quantum–mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges? |
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| Authors: | Tielker, Nicolas1, Eberlein, Lukas1, Hessler, Gerhard2, Schmidt, K. Friedemann3, Güssregen, Stefan2, stefan.guessregen@sanofi.com, Kast, Stefan M.1, stefan.kast@tu-dortmund.de |
| Source: | Journal of Computer-Aided Molecular Design; Apr2021, Vol. 35 Issue 4, p453-472, 20p |
| Database: | Applied Science & Technology Source |
| ISSN: | 0920654X |
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| DOI: | 10.1007/s10822-020-00347-5 |
