Computational approaches for lead compound discovery in dipeptidyl peptidase-4 inhibition using machine learning and molecular dynamics techniques.
Sandra De La TorreSebastián Adolfo CuestaLuis CalleJosé Ramón MoraJosé Luis PazPatricio J. Espinoza-MonteroMáryury Flores-SumozaEdgar MárquezPublished in: Comput. Biol. Chem. (2024)
Keyphrases
- computational approaches
- molecular dynamics
- machine learning
- computational methods
- data mining
- knowledge discovery
- molecular dynamics simulations
- high performance computing
- natural language processing
- machine learning methods
- scientific data
- protein protein interactions
- fluid flow
- statistical methods
- protein sequences
- machine learning algorithms
- protein folding
- data analysis
- social networks
- protein structure
- sensor networks
- active learning