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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Public Library of Science (PLoS)
2007-09-01
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| Series: | PLoS ONE |
| Online Access: | http://europepmc.org/articles/PMC1959118?pdf=render |