Docking Ligands into Flexible and Solvated Macromolecules. 5. Force-Field-Based Prediction of Binding Affinities of Ligands to Proteins.
Pablo EnglebienneNicolas MoitessierPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- drug design
- force field
- hiv protease
- protein protein interactions
- protein structure prediction
- drug discovery
- active contour model
- coarse grained
- active contours
- information theory
- deformable models
- protein structure
- computational methods
- pairwise
- protein sequences
- protein interaction
- gradient vector flow
- high throughput