Applications of simulated annealing to the multiple-minima problem in small peptides.
A Simulated Annealing method has been implemented to overcome the multiple minima problem inherent in finding the global minimum of small peptides with 2, 3, 5, 10 and 24 dihedral angles. The algorithm works much better if one introduces the anticorrelations observed in Molecular Dynamics.
Morales
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LB
Escuela de Ciencias Fisico-Matemáticas, Universidad Autonoma de Puebla, México.
Garduño-Juárez
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Romero
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D000465:Algorithms; D003198:Computer Simulation; D004743:Enkephalin, Leucine / Q000737:chemistry; D004744:Enkephalin, Methionine / Q000737:chemistry; D005998:Glycine; D006860:Hydrogen Bonding; D008958:Models, Molecular; D009010:Monte Carlo Method; D009842:Oligopeptides / Q000737:chemistry; D010455:Peptides / Q000737:chemistry*; D011487:Protein Conformation; D013816:Thermodynamics
D009842:Oligopeptides; D010455:Peptides; D004744:Enkephalin, Methionine; D004743:Enkephalin, Leucine; D005998:Glycine