A mixed DFT-MD methodology for the in silico development of drug releasing macrocycles. Calix and thia-calix[N]arenes as carriers for Bosutinib and Sorafenib

© 2015 Wiley Periodicals, Inc.

Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 37(2016), 10 vom: 15. Apr., Seite 940-6
Auteur principal: Galindo-Murillo, Rodrigo (Auteur)
Autres auteurs: Aguilar-Suárez, Luis Enrique, Barroso-Flores, Joaquín
Format: Article en ligne
Langue:English
Publié: 2016
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article DFT NBO calixarenes drug carriers molecular dynamics Aniline Compounds Drug Carriers Nitriles Phenylurea Compounds plus... Quinolines Calixarenes 130036-26-9 Niacinamide 25X51I8RD4 bosutinib 5018V4AEZ0 Sorafenib 9ZOQ3TZI87