CHARMM-GUI-Based Induced Fit Docking Workflow to Generate Reliable Protein-Ligand Binding Modes.
Hugo GuterresWonpil ImPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- hiv protease
- drug design
- drug discovery
- virtual screening
- dna binding
- protein sequences
- protein protein
- coarse grained
- fine grained
- user friendly
- binding sites
- automatically generate
- amino acids
- protein structure prediction
- user interface
- protein interaction data
- subcellular localization
- protein folding
- mass spectrometry
- workflow systems
- data flow
- high throughput