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...

Descripción completa

Detalles Bibliográficos
Autores principales: Wienen‐Schmidt, Barbara, Oebbeke, Matthias, Ngo, Khang, Heine, Andreas, Klebe, Gerhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Full Papers
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

Internet

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

Ejemplares similares