Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches
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Title
Identification of Potential COX-2 Inhibitors for the Treatment of Inflammatory Diseases Using Molecular Modeling Approaches
Authors
Keywords
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Journal
MOLECULES
Volume 25, Issue 18, Pages 4183
Publisher
MDPI AG
Online
2020-09-14
DOI
10.3390/molecules25184183
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- (2015) Williams Jorge C. Macêdo et al. Journal of Computational and Theoretical Nanoscience
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