FastGrow: on-the-fly growing and its application to DYRK1A

Fragment-based drug design is an established routine approach in both experimental and computational spheres. Growing fragment hits into viable ligands has increasingly shifted into the spotlight. FastGrow is an application based on a shape search algorithm that addresses this challenge at high spee...

Descripción completa

Detalles Bibliográficos
Autores principales: Penner, Patrick, Martiny, Virginie, Bellmann, Louis, Flachsenberg, Florian, Gastreich, Marcus, Theret, Isabelle, Meyer, Christophe, Rarey, Matthias
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9512872/
https://www.ncbi.nlm.nih.gov/pubmed/35989379
http://dx.doi.org/10.1007/s10822-022-00469-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9512872/
https://www.ncbi.nlm.nih.gov/pubmed/35989379
http://dx.doi.org/10.1007/s10822-022-00469-y

Ejemplares similares