Literature DB >> 12785993

Metropolis importance sampling for rugged dynamical variables.

Bernd A Berg1.   

Abstract

A funnel transformation is introduced, which acts recursively from higher towards lower temperatures. It biases the a priori probabilities of a canonical or generalized ensemble Metropolis simulation, so that they zoom in on the global energy minimum, if a funnel exists indeed. A first, crude approximation to the full transformation, called rugged Metropolis one (RM1), is tested for Met-Enkephalin. At 300 K the computational gain is a factor of 2 and, due to its simplicity, RM1 is well suited to replace the conventional Metropolis updating for these kinds of systems.

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Year:  2003        PMID: 12785993     DOI: 10.1103/PhysRevLett.90.180601

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Conformational study of Met-enkephalin based on the ECEPP force fields.

Authors:  Lixin Zhan; Jeff Z Y Chen; Wing-Ki Liu
Journal:  Biophys J       Date:  2006-07-07       Impact factor: 4.033

2.  General library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein models.

Authors:  Artem B Mamonov; Divesh Bhatt; Derek J Cashman; Ying Ding; Daniel M Zuckerman
Journal:  J Phys Chem B       Date:  2009-08-06       Impact factor: 2.991

3.  Application of Biased Metropolis Algorithms: From protons to proteins.

Authors:  Alexei Bazavov; Bernd A Berg; Huan-Xiang Zhou
Journal:  Math Comput Simul       Date:  2010-02       Impact factor: 2.463

  3 in total

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