QM and QM/MM study on inhibition mechanism of polyphenolic compounds as non-classical inhibitors of α-human carbonic anhydrase (II)
Author:
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
https://link.springer.com/content/pdf/10.1007/s00214-021-02839-5.pdf
Reference72 articles.
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3. Petreni A, De Luca V, Scaloni A, Nocentini A, Capasso C, Supuran CT (2021) Anion inhibition studies of the Zn (II)-bound ι-carbonic anhydrase from the Gram-negative bacterium Burkholderia territorii. J Enzyme Inhib Med Chem 36(1):372–376
4. Jin S, Vullo D, Bua S, Nocentini A, Supuran CT, Gao YG (2020) Structural and biochemical characterization of novel carbonic anhydrases from Phaeodactylum tricornutum. Acta Crystallogr D 76(7):676–686
5. Ghiasi M, Gholami S, Nasiri S (2021) QM study of carbon dioxide (CO2) and carbonyl sulfide (COS) degradation by cluster model of Carbonic anhydrase enzyme. Comput Theor Chem 1199:113188
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1. QM-cluster model study of CO2 hydration mechanisms in metal-substituted human carbonic anhydrase II;Electronic Structure;2023-01-26
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