geometry optimization of large molecules using molecular tailoring approach.
Ritwik KavathekarSubodh KhireV. GaneshAnuja P. RahalkarShridhar R. GadrePublished in: J. Comput. Chem. (2009)
Keyphrases
- three dimensional
- molecular structures
- global optimization
- discrete optimization
- optimization process
- molecular interactions
- molecular structure
- constrained optimization
- optimization algorithm
- data sets
- optimization problems
- real time
- geometric constraints
- optimization method
- high dimensional
- learning algorithm
- information retrieval
- ligand docking