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The maximal affinity of ligands

We explore the question of what are the best ligands for macromolecular targets. A survey of experimental data on a large number of the strongest-binding ligands indicates that the free energy of binding increases with the number of nonhydrogen atoms with an initial slope of ≈−1.5 kcal/mol (1 cal =...

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Autors principals: Kuntz, I. D., Chen, K., Sharp, K. A., Kollman, P. A.
Format: Artigo
Idioma:Inglês
Publicat: The National Academy of Sciences 1999
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC17830/
https://ncbi.nlm.nih.gov/pubmed/10468550
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