Crystal structure correlations with the intrinsic thermodynamics of human carbonic anhydrase inhibitor binding

The structure-thermodynamics correlation analysis was performed for a series of fluorine- and chlorine-substituted benzenesulfonamide inhibitors binding to several human carbonic anhydrase (CA) isoforms. The total of 24 crystal structures of 16 inhibitors bound to isoforms CA I, CA II, CA XII, and C...

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Bibliographic Details
Main Authors: Alexey Smirnov, Asta Zubrienė, Elena Manakova, Saulius Gražulis, Daumantas Matulis
Format: Article
Language:English
Published: PeerJ Inc. 2018-02-01
Series:PeerJ
Subjects:
Online Access:https://peerj.com/articles/4412.pdf