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QM/MM Linear Response method distinguishes ligand affinities for closely related metalloproteins
Design of selective ligands for closely related targets is becoming one of the most important tasks in the drug development. New tools, more precise than fast scoring functions and less demanding than sophisticated Free Energy Perturbation methods, are necessary to help accomplish this goal. The met...
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| Main Authors: | , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2007
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2896063/ https://ncbi.nlm.nih.gov/pubmed/17607744 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.21500 |
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