Molecular Dynamics Simulations of the Human Ecto-5′-Nucleotidase (h-ecto-5′-NT, CD73): Insights into Protein Flexibility and Binding Site Dynamics.
Lucas G. VivianiDaria B. KokhRebecca C. WadeAntonia T. do AmaralPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- molecular dynamics simulations
- protein interaction
- molecular dynamics
- binding sites
- virtual screening
- protein protein
- protein protein interactions
- regulatory elements
- gene expression
- protein function
- sequence data
- drug discovery
- dna binding
- computational methods
- protein sequences
- predicting protein
- high performance computing
- regulatory networks
- protein folding
- similarity searching
- dna sequences
- data mining
- scoring function
- protein complexes
- scientific data
- transcription factor binding sites
- high throughput
- dynamical systems
- pairwise