Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm.
Keisuke YanagisawaShunta KomineRikuto KubotaMasahito OhueYutaka AkiyamaPublished in: Comput. Biol. Chem. (2018)
Keyphrases
- optimization algorithm
- minimum cost flow
- dynamic programming
- optimal solution
- strongly polynomial
- worst case
- computational complexity
- combinatorial optimization
- computational efficiency
- np hard
- optimization problems
- search space
- linear programming
- mathematical model
- simulated annealing
- memory requirements
- maximum flow
- shortest path algorithm
- k means