Reinforcing the membrane-mediated mechanism of action of the anti-tuberculosis candidate drug thioridazine with molecular simulations.
Wojciech KopecHimanshu KhandeliaPublished in: J. Comput. Aided Mol. Des. (2014)
Keyphrases
- drug discovery
- molecular dynamics
- drug design
- security protection
- virtual screening
- living cells
- action selection mechanism
- ligand docking
- numerical simulations
- selection mechanism
- fine grained
- molecular dynamics simulations
- clinical trials
- scoring function
- early stage
- computational model
- medical images
- association rules
- three dimensional