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Boronic Acid Group: A Cumbersome False Negative Case in the Process of Drug Design
Herein we present, an exhaustive docking analysis considering the case of autotaxin (ATX). HA155, a small molecule inhibitor of ATX, is co-crystallized. In order to further extract conclusions on the nature of the bond formed between the ligands and the amino acid residues of the active site, densit...
Autores principales: | Katsamakas, Sotirios, Papadopoulos, Anastasios G., Hadjipavlou-Litina, Dimitra |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273881/ https://www.ncbi.nlm.nih.gov/pubmed/27617984 http://dx.doi.org/10.3390/molecules21091185 |
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