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Preference of Small Molecules for Local Minimum Conformations when Binding to Proteins

It is well known that small molecules (ligands) do not necessarily adopt their lowest potential energy conformations when binding to proteins. Analyses of protein-bound ligand crystal structures have reportedly shown that many of them do not even adopt the conformations at local minima of their pote...

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מידע ביבליוגרפי
Main Authors: Wang, Qi, Pang, Yuan-Ping
פורמט: Artigo
שפה:Inglês
יצא לאור: Public Library of Science 2007
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC1959118/
https://ncbi.nlm.nih.gov/pubmed/17786192
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0000820
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