"Standard state free energies, not pKas, are ideal for ..."

Marilyn R. Gunner et al. (2020)

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DOI: 10.1007/S10822-020-00280-7

access: closed

type: Journal Article

metadata version: 2020-06-15

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

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