A Step Forward toward Selective Activation/Inhibition of Bak, a Pro-Apoptotic Member of the Bcl-2 Protein Family: Discovery of New Prospective Allosteric Sites Using Molecular Dynamics.
Guillem Vila-JuliàJuan Jesús PérezJaime Rubio-MartinezPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- molecular dynamics
- protein families
- protein folding
- amino acids
- lateral inhibition
- protein sequences
- high performance computing
- scientific data
- dna sequences
- molecular dynamics simulations
- protein structure
- binding sites
- fluid flow
- data mining
- database
- data generation
- knowledge discovery
- amino acid sequences
- secondary structure
- peer to peer