Proton First: Rationalizing a Proton Transfer in a ProteinâFragment Complex
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DOI: 10.1002/cmdc.202500244
Abstract: A combination of experimental and theoretical approaches is used to decipher the molecular recognition event of benzoic acid complexed with protein kinase A. The publicly known crystal structure suggests the protonated form of benzoic acid… read more here.
Keywords: proton; protein kinase; proton first; benzoic acid ... See more keywords