Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations

ABSTRACT: Pharmacophore modeling is a widely used technique in computer-aided drug discovery. Structure-based pharmacophore models of a ligand in complex with a protein have proven to be useful for supporting in silico hit discovery, hit to lead expansion, and lead optimization. As a structure-based...

Descripción completa

Detalles Bibliográficos
Autores principales: Wieder, Marcus, Perricone, Ugo, Seidel, Thomas, Boresch, Stefan, Langer, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Vienna 2016
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785218/
https://www.ncbi.nlm.nih.gov/pubmed/27069282
http://dx.doi.org/10.1007/s00706-016-1674-1

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4785218/
https://www.ncbi.nlm.nih.gov/pubmed/27069282
http://dx.doi.org/10.1007/s00706-016-1674-1

Ejemplares similares