Article (Scientific journals)
Intermediates in the protein folding process: a computational model
Roterman, Irena; Konieczny, Leszek; Banach, Mateusz et al.
2011In International Journal of Molecular Sciences, 12 (8), p. 4850-60
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Abstract :
[en] The paper presents a model for simulating the protein folding process in silico. The two-step model (which consists of the early stage-ES and the late stage-LS) is verified using two proteins, one of which is treated (according to experimental observations) as the early stage and the second as an example of the LS step. The early stage is based solely on backbone structural preferences, while the LS model takes into account the water environment, treated as an external hydrophobic force field and represented by a 3D Gauss function. The characteristics of 1ZTR (the ES intermediate, as compared with 1ENH, which is the LS intermediate) confirm the link between the gradual disappearance of ES characteristics in LS structural forms and the simultaneous emergence of LS properties in the 1ENH protein. Positive verification of ES and LS characteristics in these two proteins (1ZTR and 1ENH respectively) suggest potential applicability of the presented model to in silico protein folding simulations.
Disciplines :
Biochemistry, biophysics & molecular biology
Identifiers :
UNILU:UL-ARTICLE-2012-576
Author, co-author :
Roterman, Irena
Konieczny, Leszek
Banach, Mateusz
Jurkowski, Wiktor ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
External co-authors :
yes
Language :
English
Title :
Intermediates in the protein folding process: a computational model
Publication date :
2011
Journal title :
International Journal of Molecular Sciences
ISSN :
1422-0067
Publisher :
Molecular Diversity Preservation International (MDPI), Basel, Switzerland
Volume :
12
Issue :
8
Pages :
4850-60
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBilu :
since 08 April 2016

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