Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states
Gunner, M. R. ; Murakami, Taichi ; Rustenburg, Ariën S. ; Işık, Mehtap ; Chodera, John D.
Journal of computer-aided molecular design, 2020-05, Vol.34 (5), p.561-573 [Periódico revisado por pares]Cham: Springer International Publishing
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