The structure of the free energy surface of coarse-grained off-lattice protein models
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, cilt.18, sa.1, ss.99-106, 2007 (SCI-Expanded, Scopus)
- 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
- Açık Arşiv Koleksiyonu: AVESİS Açık Erişim Koleksiyonu
- 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.