Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations

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Title
Carbonic anhydrase inhibition of Schiff base derivative of imino-methyl-naphthalen-2-ol: Synthesis, structure elucidation, molecular docking, dynamic simulation and density functional theory calculations
Authors
Keywords
Density functional theory, X-ray diffraction, Physicochemical properties, Molecular dynamic simulations
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1156, Issue -, Pages 193-200
Publisher
Elsevier BV
Online
2017-11-22
DOI
10.1016/j.molstruc.2017.11.086

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