Solution effects and the order of the helix–coil transition in polyalanine | Zendy

Yong Peng | Zendy; Ulrich H. E. Hansmann | Zendy; Nelson A. Alves | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Solution effects and the order of the helix–coil transition in polyalanine

Author(s) -

Yong Peng,

Ulrich H. E. Hansmann,

Nelson A. Alves

Publication year - 2003

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1532348

Subject(s) - electromagnetic coil , solvation , helix (gastropod) , phase transition , solvent , solvent models , chemical physics , molecule , implicit solvation , thermodynamics , chemistry , materials science , computational chemistry , crystallography , physics , organic chemistry , ecology , quantum mechanics , snail , biology

We study helix-coil transitions in an all-atom model of polyalanine.Molecules of up to length 30 residues are investigated by multicanonicalsimulations. Results from two implicit solvent models are compared with eachother and with that from simulations in gas phase. While the helix-coiltransition is in all three models a true thermodynamic phase transition, wefind that its strength is reduced by the protein-solvent interaction term. Theorder of the helix-coil transition depends on the details of the solvationterm.Comment: 19 pages, 11 figure

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research