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Embedded conformon model of chain folding
Author(s) -
Tschöp Wolfgang,
Noolandi Jaan
Publication year - 1998
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/(sici)1521-3919(19980701)7:4<431::aid-mats431>3.0.co;2-p
Subject(s) - computation , chain (unit) , folding (dsp implementation) , statistical physics , lattice (music) , renormalization group , periodic boundary conditions , polar , copolymer , chemical physics , materials science , boundary value problem , molecular physics , physics , chemistry , computer science , algorithm , polymer , quantum mechanics , engineering , acoustics , electrical engineering , composite material
The real‐space renormalization‐group technique is used to study the low lying energy states of a random copolymer composed of hydrophobic (H) and polar (P) beads on a simple cubic lattice. Application of a variety of boundary conditions to parts of the larger chain (embedded conformons) while progressively increasing the length scale gives the lowest energy states in agreement with exact calculations for a 17 bead chain with a random H,P sequence. These results are significant for studying minimalist models of the folding of complex molecules because the computation time is several orders of magnitude less than for other approaches.