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STACKED – Solvation Theory of Aromatic Complexes as Key for Estimating Drug Binding

[Image: see text] The use of fragments to biophysically characterize a protein binding pocket and determine the strengths of certain interactions is a computationally and experimentally commonly applied approach. Almost all drug like molecules contain at least one aromatic moiety forming stacking in...

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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Main Authors: Loeffler, Johannes R., Fernández-Quintero, Monica L., Schauperl, Michael, Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2020
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7189365/
https://ncbi.nlm.nih.gov/pubmed/32142283
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b01165
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