Strong Nonadditivity as a Key Structure–Activity Relationship Feature: Distinguishing Structural Changes from Assay Artifacts

[Image: see text] Nonadditivity in protein–ligand affinity data represents highly instructive structure–activity relationship (SAR) features that indicate structural changes and have the potential to guide rational drug design. At the same time, nonadditivity is a challenge for both basic SAR analys...

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Detalles Bibliográficos
Autores principales: Kramer, Christian, Fuchs, Julian E., Liedl, Klaus R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4372821/
https://www.ncbi.nlm.nih.gov/pubmed/25760829
http://dx.doi.org/10.1021/acs.jcim.5b00018

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4372821/
https://www.ncbi.nlm.nih.gov/pubmed/25760829
http://dx.doi.org/10.1021/acs.jcim.5b00018

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