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Charge Optimization Theory for Induced-Fit Ligands
The design of ligands with high affinity and specificity remains a fundamental challenge in understanding molecular recognition and developing therapeutic interventions. Charge optimization theory addresses this problem by determining ligand charge distributions that produce the most favorable elect...
Autores principales: | Shen, Yang, Gilson, Michael K., Tidor, Bruce |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3496346/ https://www.ncbi.nlm.nih.gov/pubmed/23162383 http://dx.doi.org/10.1021/ct200931c |
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