All-atom protein-folding simulations in generalized-ensembles

被引：0
|
作者：
Alves, NA
Peng, Y
Hansmann, UHE
机构：
[1] Univ Sao Paulo, FFCLRP, Dept Fis & Matemat, BR-14040901 Ribeirao Preto, SP, Brazil
[2] Michigan Technol Univ, Dept Phys, Houghton, MI 49931 USA
来源：
BRAZILIAN JOURNAL OF PHYSICS | 2004年 / 34卷 / 2A期
关键词：
D O I：
暂无
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
We review the generalized-ensemble approach to protein studies. Focusing on the problem of secondary structure formation, we show that these sophisticated techniques allow efficient simulations of all-atom protein models and may lead to a deeper understanding of the folding mechanism in proteins.
引用
收藏
页码：363 / 367
页数：5
相关论文
共 50 条
  • [21] The folding pathway of ubiquitin from all-atom molecular dynamics simulations
    Marianayagam, NJ
    Jackson, SE
    BIOPHYSICAL CHEMISTRY, 2004, 111 (02) : 159 - 171
  • [22] Protein Folding Simulations: Combining Coarse-grained Models and All-atom Molecular Dynamics
    Giorgio Colombo
    Cristian Micheletti
    Theoretical Chemistry Accounts, 2006, 116 : 75 - 86
  • [23] Folding time predictions from all-atom replica exchange simulations
    Yang, Sichun
    Onuchic, Jose N.
    Garcia, Angel E.
    Levine, Herbert
    JOURNAL OF MOLECULAR BIOLOGY, 2007, 372 (03) : 756 - 763
  • [24] Folding thermodynamics and kinetics: Insights from all-atom simulations.
    Shakhnovich, EI
    Shimada, J
    Kussell, E
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 220 : U167 - U167
  • [25] Protein folding theory: From lattice to all-atom models
    Mirny, L
    Shakhnovich, E
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 2001, 30 : 361 - 396
  • [26] All-atom generalized-ensemble simulations of small proteins
    Kinnear, BS
    Jarrold, MF
    Hansmann, UHE
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2004, 22 (05): : 397 - 403
  • [27] All-atom simulation of the folding and binding of an intrinsically disordered protein
    Ithuralde, Raul
    Roitberg, Adrian
    Turjanski, Adrian
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [28] All-Atom Protein Folding with Free-Energy Forcefields
    Verma, A.
    Gopal, S. M.
    Schug, A.
    Herges, T.
    Klenin, K.
    Wenzel, W.
    MOLECULAR BIOLOGY OF PROTEIN FOLDING, PT A, 2008, 83 : 181 - +
  • [29] Challenges in protein-folding simulations
    Freddolino, Peter L.
    Harrison, Christopher B.
    Liu, Yanxin
    Schulten, Klaus
    NATURE PHYSICS, 2010, 6 (10) : 751 - 758
  • [30] Simulating protein folding on experimental timescales in all-atom detail
    Pande, Vijay S.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
12345