Towards Computational Modeling of Ligand Binding to the ILPR G-Quadruplex

Using a combination of unconstrained and constrained molecular dynamics simulations, we have evaluated the binding affinities between two porphyrin derivatives (TMPyP4 and TEGPy) and the G-quadruplex (G4) of a DNA fragment modeling the insulin-linked polymorphic region (ILPR). Refining a well-establ...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Xiaotong, Barrow, John, van Mourik, Tanja, Bühl, Michael
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10145587/
https://www.ncbi.nlm.nih.gov/pubmed/37110681
http://dx.doi.org/10.3390/molecules28083447

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10145587/
https://www.ncbi.nlm.nih.gov/pubmed/37110681
http://dx.doi.org/10.3390/molecules28083447

Ejemplares similares