Introduction of a bounded penalty function in contact-assisted simulations of protein structures to omit false restraints.
Emilia A. LubeckaAdam LiwoPublished in: J. Comput. Chem. (2019)
Keyphrases
- penalty function
- protein structure
- contact map
- constrained optimization
- constraint handling
- penalty functions
- constrained optimization problems
- molecular biology
- protein sequences
- objective function
- secondary structure
- genetic algorithm
- amino acids
- fitness function
- computational approaches
- contact maps
- amino acid sequences
- protein structure and function
- protein function
- protein structure prediction
- nuclear magnetic resonance
- experimentally determined
- protein structure alignment
- protein protein
- protein tertiary structure