Protein: Ligand binding free energies: A stringent test for computational protein design.
Karen DruartZoltan PalmaiEyaz OmarjeeThomas SimonsonPublished in: J. Comput. Chem. (2016)
Keyphrases
- drug design
- protein structure
- molecular dynamics
- protein sequences
- amino acids
- protein protein
- protein structure prediction
- design process
- predicting protein
- virtual screening
- protein protein interactions
- drug discovery
- pairwise
- dna binding
- case study
- protein interaction
- high throughput
- markov random field
- protein interaction data
- molecular structures
- subcellular localization
- physicochemical properties