Literature DB >> 12023250

Solvation model dependency of helix-coil transition in polyalanine.

Yong Peng1, Ulrich H E Hansmann.   

Abstract

Helix-coil transitions in polyalanine molecules of length 10 are studied by multi-canonical Monte Carlo simulations. The solvation effects are included by either a distance-dependent dielectric permittivity or by a term that is proportional to the solvent-accessible surface area of the peptide. We found a strong dependence of the characteristics of the helix-coil transition from the details of the solvation model.

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Year:  2002        PMID： 12023250      PMCID： PMC1302115          DOI： 10.1016/S0006-3495(02)75668-3

Source DB:  PubMed          Journal:  Biophys J        ISSN： 0006-3495            Impact factor:   4.033


  9 in total

1.  Partition function zeros and finite size scaling of helix-coil transitions in a polypeptide.

Authors:  N A Alves; U H Hansmann
Journal:  Phys Rev Lett       Date:  2000-02-21       Impact factor: 9.161

2.  New Monte Carlo technique for studying phase transitions.

Authors: 
Journal:  Phys Rev Lett       Date:  1988-12-05       Impact factor: 9.161

3.  Empirical solvation models can be used to differentiate native from near-native conformations of bovine pancreatic trypsin inhibitor.

Authors:  J Vila; R L Williams; M Vásquez; H A Scheraga
Journal:  Proteins       Date:  1991

4.  Atomic solvation parameters applied to molecular dynamics of proteins in solution.

Authors:  L Wesson; D Eisenberg
Journal:  Protein Sci       Date:  1992-02       Impact factor: 6.725

5.  Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides.

Authors:  T Ooi; M Oobatake; G Némethy; H A Scheraga
Journal:  Proc Natl Acad Sci U S A       Date:  1987-05       Impact factor: 11.205

6.  Solvation energy in protein folding and binding.

Authors:  D Eisenberg; A D McLachlan
Journal:  Nature       Date:  1986 Jan 16-22       Impact factor: 49.962

7.  The interpretation of protein structures: estimation of static accessibility.

Authors:  B Lee; F M Richards
Journal:  J Mol Biol       Date:  1971-02-14       Impact factor: 5.469

8.  Affinities of amino acid side chains for solvent water.

Authors:  R Wolfenden; L Andersson; P M Cullis; C C Southgate
Journal:  Biochemistry       Date:  1981-02-17       Impact factor: 3.162

9.  The flexibility of the nucleic acids: (II). The calculation of internal energy and applications to mononucleotide repeat DNA.

Authors:  R Lavery; H Sklenar; K Zakrzewska; B Pullman
Journal:  J Biomol Struct Dyn       Date:  1986-04
  9 in total
  3 in total

1.  Statistical prediction and molecular dynamics simulation.

Authors:  Ben Cooke; Scott C Schmidler
Journal:  Biophys J       Date:  2008-08-01       Impact factor: 4.033

2.  Thermodynamic stability of beta-peptide helices and the role of cyclic residues.

Authors:  Nitin Rathore; Samuel H Gellman; Juan J de Pablo
Journal:  Biophys J       Date:  2006-08-11       Impact factor: 4.033

3.  Solvent effects on the conformational transition of a model polyalanine peptide.

Authors:  Hung D Nguyen; Alexander J Marchut; Carol K Hall
Journal:  Protein Sci       Date:  2004-11       Impact factor: 6.725
  3 in total

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