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Reconstruction of Protein‐Like Globular Structure for Random and Designed Copolymers
Author(s) -
Kriksin Yuri A.,
Khalatur Pavel G.,
Khokhlov Alexei R.
Publication year - 2002
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20020201)11:2<213::aid-mats213>3.0.co;2-m
Subject(s) - globular cluster , globular protein , intramolecular force , random coil , sequence (biology) , statistical physics , physics , chemistry , protein secondary structure , crystallography , nuclear magnetic resonance , biochemistry , quantum mechanics , galaxy
We present the results of computer simulation of Langevin dynamics of AB‐copolymer coil‐globule transition. The method for estimation of the quality of reconstruction of protein‐like globular structure after cooling procedure is proposed. We study specially designed “protein‐like” and random primary sequences and carry out a comparative analysis of the corresponding globular conformations for different intramolecular interactions. It is found that the energy of intramolecular interactions, as well as the type of primary sequence, are important in the process of parent globular structure reconstruction. As a rule, protein‐like sequences exhibit better reconstruction of initial globular structure after cooling procedure. There is a region of energy parameters enabling optimum reconstruction of initial globular structure.