Lataa...

Improved Ligand-Protein Binding Affinity Predictions Using Multiple Binding Modes

Accurate ligand-protein binding affinity prediction, for a set of similar binders, is a major challenge in the lead optimization stage in drug development. In general, docking and scoring functions perform unsatisfactorily in this application. Docking calculations, followed by molecular dynamics sim...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Stjernschantz, Eva, Oostenbrink, Chris
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: The Biophysical Society 2010
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC2877349/
https://ncbi.nlm.nih.gov/pubmed/20513413
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2010.02.034
Tagit: Lisää tagi
Ei tageja, Lisää ensimmäinen tagi!