Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization.
Maria KadukovaSergei GrudininPublished in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
- convex optimization
- protein protein
- interior point methods
- protein protein interactions
- convex relaxation
- low rank
- convex optimization problems
- drug design
- convex programming
- computational methods
- primal dual
- convex constraints
- total variation
- convex formulation
- protein sequences
- protein interaction
- virtual screening
- operator splitting
- drug discovery
- convex sets
- augmented lagrangian
- high throughput
- interaction networks
- norm minimization
- semi definite programming
- protein structure
- image processing
- augmented lagrangian method
- pairwise
- high quality
- semidefinite program
- alternating direction method of multipliers