High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment

[Image: see text] Knowledge of the putative bound-state conformation of a molecule is an essential prerequisite for the successful application of many computer-aided drug design methods that aim to assess or predict its capability to bind to a particular target receptor. An established approach to p...

Descripción completa

Detalles Bibliográficos
Autores principales: Seidel, Thomas, Permann, Christian, Wieder, Oliver, Kohlbacher, Stefan M., Langer, Thierry
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10498443/
https://www.ncbi.nlm.nih.gov/pubmed/37624145
http://dx.doi.org/10.1021/acs.jcim.3c00563

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10498443/
https://www.ncbi.nlm.nih.gov/pubmed/37624145
http://dx.doi.org/10.1021/acs.jcim.3c00563

Ejemplares similares