Literature DB >> 2059338

Applications of simulated annealing to the multiple-minima problem in small peptides.

L B Morales1, R Garduño-Juárez, D Romero.   

Abstract

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.

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Year:  1991        PMID: 2059338     DOI: 10.1080/07391102.1991.10507841

Source DB:  PubMed          Journal:  J Biomol Struct Dyn        ISSN: 0739-1102


  3 in total

1.  Characterization of low-energy conformational domains for Met-enkephalin.

Authors:  J J Perez; H O Villar; G H Loew
Journal:  J Comput Aided Mol Des       Date:  1992-04       Impact factor: 3.686

2.  Conformational analysis of [Met5]-enkephalin: solvation and ionization considerations.

Authors:  L Carlacci
Journal:  J Comput Aided Mol Des       Date:  1998-03       Impact factor: 3.686

3.  Application of the primary hydration shell approach to locally enhanced sampling simulated annealing: computer simulation of thyrotropin-releasing hormone in water.

Authors:  A Rosenhouse-Dantsker; R Osman
Journal:  Biophys J       Date:  2000-07       Impact factor: 4.033

  3 in total

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