Artificial Intelligence: A Novel Approach for Drug Discovery.
Trends Pharmacol Sci
; 40(8): 550-551, 2019 08.
Article
in En
| MEDLINE
| ID: mdl-31279568
ABSTRACT
Molecular dynamics (MD) simulations can mechanistically explain receptor function. However, the enormous data sets that they may imply can be a hurdle. Plante and colleagues (Molecules, 2019) recently described a machine learning approach to the analysis of MD simulations. The approach successfully classified ligands and identified functional receptor motifs and thus it seems promising for mechanism-based drug discovery.
Key words
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Main subject:
Artificial Intelligence
/
Drug Discovery
Language:
En
Journal:
Trends Pharmacol Sci
Year:
2019
Document type:
Article