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Hydrogen atoms are not typically observable in X-ray crystal structures, but inferring their locations is often important in structure-based drug design. In addition, protonation states of the protein can change in response to ligand binding, as can
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3245ad73e47320674fe8508de2d68f0e
https://europepmc.org/articles/PMC2744578/
https://europepmc.org/articles/PMC2744578/
