CYP 2D6 Binding Affinity Predictions Using Multiple Ligand and Protein Conformations

Because of the large flexibility and malleability of Cytochrome P450 enzymes (CYPs), in silico prediction of CYP binding affinities to drugs and other xenobiotic compounds is a true challenge. In the current work, we use an iterative linear interaction energy (LIE) approach to compute CYP binding af...

Descripción completa

Detalles Bibliográficos
Autores principales: Perić-Hassler, Lovorka, Stjernschantz, Eva, Oostenbrink, Chris, Geerke, Daan P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2013
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3876125/
https://www.ncbi.nlm.nih.gov/pubmed/24351831
http://dx.doi.org/10.3390/ijms141224514

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3876125/
https://www.ncbi.nlm.nih.gov/pubmed/24351831
http://dx.doi.org/10.3390/ijms141224514

Ejemplares similares