A mixed DFT-MD methodology for thein silicodevelopment of drug releasing macrocycles. Calix and thia-calix[N]arenes as carriers for Bosutinib and Sorafenib-Reference-Cited by-同舟云学术

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

Published:2015-12-29 Issue:10 Volume:37 Page:940-946
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Galindo-Murillo Rodrigo¹,Aguilar-Suárez Luis Enrique²,Barroso-Flores Joaquín²^ORCID

Affiliation:

1. Department of Medicinal Chemistry, College of Pharmacy; University of Utah; Salt Lake City Utah 84112

2. Centro Conjunto De Investigación En Química Sustentable UAEM-UNAM; Toluca Estado De México 50200 Mexico

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.24281/fullpdf

Reference37 articles.

1. Affinity-based target identification for bioactive small molecules

2. A Novel Mechanism by Which Small Molecule Inhibitors Induce the DFG Flip in Aurora A

3. Paul Ehrlich's magic bullet concept: 100 years of progress

4. Targeting Human Gastrointestinal Stromal Tumor Cells with a Quadruplex-Binding Small Molecule

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