Caricamento...

Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping

BACKGROUND: Two recent technological advances dramatically reducing the rate of false-negatives in activity prediction by docking flexible 3D models of compounds include multi-conformational docking (mPockDock) and the docking of candidates to atomic property fields derived by co-crystallized ligand...

Descrizione completa

Salvato in:
Dettagli Bibliografici
Pubblicato in:Future Med Chem
Autori principali: Chen, Yu-Chen, Totrov, Max, Abagyan, Ruben
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2014
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4285145/
https://ncbi.nlm.nih.gov/pubmed/25407367
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.4155/fmc.14.113
Tags: Aggiungi Tag
Nessun Tag, puoi essere il primo ad aggiungerne! !