The structure of the free energy surface of coarse-grained off-lattice protein models

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Akturk E., OLĞAR H., Celik T.

INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.18, sa.1, ss.99-106, 2007 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 18 Sayı: 1
  • Basım Tarihi: 2007
  • Doi Numarası: 10.1142/s0129183107010309
  • Dergi Adı: INTERNATIONAL JOURNAL OF MODERN PHYSICS C
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.99-106
  • Anahtar Kelimeler: off-lattice protein models, conformational sampling, multicanonical simulation, FOLDING FUNNEL, THERMODYNAMICS, HETEROPOLYMERS, SIMULATIONS, LANDSCAPE, PEPTIDE
  • Ankara Üniversitesi Adresli: Hayır

Özet

We have performed multicanonical simulations of hydrophobic-hydrophilic heteropolymers with a simple effective, coarse-grained off-lattice model to study the structure and the topology of the energy surface. The multicanonical method samples the whole rugged energy landscape, in particular the low-energy part, and enables one to better understand the critical behaviors and visualize the folding pathways of the considered protein model.