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"Standard state free energies, not pKas, are ideal for ..."
Marilyn R. Gunner et al. (2020)
- Marilyn R. Gunner
, Taichi Murakami, Ariën S. Rustenburg, Mehtap Isik
, John D. Chodera:
Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states. J. Comput. Aided Mol. Des. 34(5): 561-573 (2020)
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