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Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations

Sulphamate and sulphamide derivatives have been largely investigated as carbonic anhydrase inhibitors (CAIs) by means of different experimental techniques. However, the structural determinants responsible for their different binding mode to the enzyme active site were not clearly defined so far. In...

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Bibliografiset tiedot
Julkaisussa:J Enzyme Inhib Med Chem
Päätekijät: De Simone, Giuseppina, Langella, Emma, Esposito, Davide, Supuran, Claudiu T., Monti, Simona Maria, Winum, Jean-Yves, Alterio, Vincenzo
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: Taylor & Francis 2017
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC6445192/
https://ncbi.nlm.nih.gov/pubmed/28738704
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/14756366.2017.1349764
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