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Reducing Properties of Superalkalis on Pyridinic Graphene Surfaces: a Computational Study.
Chemphyschem. 2019 Dec 3;20(23):3251-3258. doi: 10.1002/cphc.201900789. Epub 2019 Nov 7.
Chemphyschem. 2019.
PMID: 31609060
Evidence for a high pKa of an aspartic acid residue in the active site of CALB by a fully atomistic multiscale approach.
Capone M, Zanetti-Polzi L, Leonzi I, Spreti N, Daidone I.
Capone M, et al. Among authors: leonzi i.
J Biomol Struct Dyn. 2023 Jul;41(11):4949-4956. doi: 10.1080/07391102.2022.2077834. Epub 2022 May 20.
J Biomol Struct Dyn. 2023.
PMID: 35593533
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