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...

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Detalhes bibliográficos
Publicado no:ChemMedChem
Main Authors: Wienen‐Schmidt, Barbara, Oebbeke, Matthias, Ngo, Khang, Heine, Andreas, Klebe, Gerhard
Formato: Artigo
Idioma:Inglês
Publicado em: John Wiley and Sons Inc. 2020
Assuntos:
Full Papers
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7821316/
https://ncbi.nlm.nih.gov/pubmed/33029876
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.202000565
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