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Host-Guest Complexes with Protein-Ligand-Like Affinities: Computational Analysis and Design

It has recently been discovered that guests combining a nonpolar core with cationic substituents bind cucurbit[7]uril (CB[7]) in water with ultra-high affinities. The present study uses the Mining Minima algorithm to study the physics of these extraordinary associations and to computationally test a...

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Detalhes bibliográficos
Main Authors: Moghaddam, Sarvin, Inoue, Yoshihisa, Gilson, Michael K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2009
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2742617/
https://ncbi.nlm.nih.gov/pubmed/19133781
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ja808175m
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