Supercomputer Docking: Investigation of Low Energy Minima of Protein-Ligand Complexes.
Danil C. KutovAlexey V. SulimovVladimir B. SulimovPublished in: Supercomput. Front. Innov. (2018)
Keyphrases
- low energy
- protein folding
- protein complexes
- building blocks
- protein protein
- minimum energy
- protein structure prediction
- drug design
- amino acids
- coarse grained
- protein protein interactions
- protein structure
- virtual screening
- electron microscopy
- protein sequences
- secondary structure
- drug discovery
- protein interaction networks
- ppi networks
- critical points
- computational biology
- high throughput
- fine grained
- protein interaction
- neural network
- three dimensional