RT Journal Article
T1 Evolutionary method for the assembly of rigid protein fragments
A1 De Sancho, David
A1 Prieto Frías, Lidia
A1 Rubio Caparrós, Ana María
A1 Rey Gayo, Antonio
AB Genetic algorithms constitute a powerful optimization method that has already been used in the study of the protein folding problem. However, they often suffer from a lack of convergence in a reasonably short time for complex fitness functions. Here, we propose an evolutionary strategy that can reproducibly find structures close to the minimum of a potential function for a simplified protein model in an efficient way. The model reduces the number of degrees of freedom of the system by treating the protein structure as composed of rigid fragments. The search incorporates a double encoding procedure and a merging operation from subpopulations that evolve independently of one another, both contributing to the good performance of the full algorithm. We have tested it with protein structures of different degrees of complexity, and present our conclusions related to its possible application as an efficient tool for the analysis of folding potentials.
PB Wiley
SN 0192-8651
YR 2004
FD 2004
LK https://hdl.handle.net/20.500.14352/91113
UL https://hdl.handle.net/20.500.14352/91113
LA eng
NO De Sancho, D., Prieto, L., Rubio, A.M. and Rey, A. (2005). Evolutionary method for the assembly of rigid protein fragments. J. Comput. Chem., 26: 131-141.
NO Ministerio de Ciencia y Tecnología (España)
DS Docta Complutense
RD 10 abr 2025