Stretching of proteins in the entropic limit

被引:18
作者
Cieplak, M [1 ]
Hoang, TX
Robbins, MO
机构
[1] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA
[2] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland
[3] Abdus Salam Int Ctr Theoret Phys, I-34014 Trieste, Italy
来源
PHYSICAL REVIEW E | 2004年 / 69卷 / 01期
基金
美国国家科学基金会;
关键词
D O I
10.1103/PhysRevE.69.011912
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
Mechanical stretching of six proteins is studied through molecular dynamics simulations. The model is Go-like, with Lennard-Jones interactions at native contacts. Low-temperature unfolding scenarios are remarkably complex and sensitive to small structural changes. Thermal fluctuations reduce the peak forces and the number of metastable states during unfolding. The unfolding pathways also simplify as temperature rises. In the entropic limit, all proteins show a monotonic decrease of the extension where bonds rupture with their separation along the backbone (contact order).
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页数:4
相关论文
共 24 条
[1]   NON-INTERACTING LOCAL-STRUCTURE MODEL OF FOLDING AND UNFOLDING TRANSITION IN GLOBULAR-PROTEINS .2. APPLICATION TO TWO-DIMENSIONAL LATTICE PROTEINS [J].
ABE, H ;
GO, N .
BIOPOLYMERS, 1981, 20 (05) :1013-1031
[2]   PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].
BERNSTEIN, FC ;
KOETZLE, TF ;
WILLIAMS, GJB ;
MEYER, EF ;
BRICE, MD ;
RODGERS, JR ;
KENNARD, O ;
SHIMANOUCHI, T ;
TASUMI, M .
JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542
[3]   Pulling geometry defines the mechanical resistance of a β-sheet protein [J].
Brockwell, DJ ;
Paci, E ;
Zinober, RC ;
Beddard, GS ;
Olmsted, PD ;
Smith, DA ;
Perham, RN ;
Radford, SE .
NATURE STRUCTURAL BIOLOGY, 2003, 10 (09) :731-737
[4]   Universality classes in folding times of proteins [J].
Cieplak, M ;
Hoang, TX .
BIOPHYSICAL JOURNAL, 2003, 84 (01) :475-488
[5]   Thermal folding and mechanical unfolding pathways of protein secondary structures [J].
Cieplak, M ;
Hoang, TX ;
Robbins, MO .
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 2002, 49 (01) :104-113
[6]   Folding and stretching in a go-like model of titin [J].
Cieplak, M ;
Hoang, TX ;
Robbins, MO .
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 2002, 49 (01) :114-124
[7]  
Doi M., 1989, THEORY POLYM DYNAMIC
[8]   Discrete molecular dynamics studies of the folding of a protein-like model [J].
Dokholyan, NV ;
Buldyrev, SV ;
Stanley, HE ;
Shakhnovich, EI .
FOLDING & DESIGN, 1998, 3 (06) :577-587
[9]   MOLECULAR-DYNAMICS SIMULATION FOR POLYMERS IN THE PRESENCE OF A HEAT BATH [J].
GREST, GS ;
KREMER, K .
PHYSICAL REVIEW A, 1986, 33 (05) :3628-3631
[10]   Molecular dynamics of folding of secondary structures in Go-type models of proteins [J].
Hoang, TX ;
Cieplak, M .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (15) :6851-6862