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Two Methods, One Goal: Structural Differences between Cocrystallization and Crystal Soaking to Discover Ligand Binding Poses
In lead optimization, protein crystallography is an indispensable tool to analyze drug binding. Binding modes and non‐covalent interaction inventories are essential to design follow‐up synthesis candidates. Two protocols are commonly applied to produce protein–ligand complexes: cocrystallization and...
Autores principales: | Wienen‐Schmidt, Barbara, Oebbeke, Matthias, Ngo, Khang, Heine, Andreas, Klebe, Gerhard |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley and Sons Inc.
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7821316/ https://www.ncbi.nlm.nih.gov/pubmed/33029876 http://dx.doi.org/10.1002/cmdc.202000565 |
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