Constructing a Useful Tool for Characterizing Amino Acid Conformers by Means of Quantum Chemical and Graph Theory Indices.
Constanza CárdenasMateo ObregónEugenio-José LlanosEduardo MachadoHugo-Javier BohórquezJosé-Luis VillavecesManuel-Elkin PatarroyoPublished in: Comput. Chem. (2002)
Keyphrases
- metaheuristic
- graph theory
- combinatorial optimization
- protein structure prediction
- amino acids
- simulated annealing
- protein sequences
- optimal solution
- complex networks
- graph theoretical
- computer vision and pattern recognition
- graph based representations
- graph theoretic
- automata theory
- sequence alignment
- social network analysis
- protein function
- chemical reactions
- physico chemical
- minimum spanning tree
- secondary structure
- protein structure
- amino acid sequences
- maximal cliques
- maximum independent set
- social networks