Variational Implicit-Solvent Modeling of Host–Guest Binding: A Case Study on Cucurbit[7]uril|

[Image: see text] The synthetic host cucurbit[7]uril (CB[7]) binds aromatic guests or metal complexes with ultrahigh affinity compared with that typically displayed in protein–ligand binding. Due to its small size, CB[7] serves as an ideal receptor–ligand system for developing computational methods...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhou, Shenggao, Rogers, Kathleen E., de Oliveira, César Augusto F., Baron, Riccardo, Cheng, Li-Tien, Dzubiella, Joachim, Li, Bo, McCammon, J. Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2013
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770055/
https://www.ncbi.nlm.nih.gov/pubmed/24039554
http://dx.doi.org/10.1021/ct400232m

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770055/
https://www.ncbi.nlm.nih.gov/pubmed/24039554
http://dx.doi.org/10.1021/ct400232m

Ejemplares similares