Free-energy landscape for β hairpin folding from combined parallel tempering and metadynamics

被引:0
|
作者
Bussi, Giovanni [1 ]
Gervasio, Francesco Luigi [1 ]
Laio, Alessandro [1 ,2 ]
Parrinello, Michele [1 ]
机构
[1] Computational Science, Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule Zürich, Via Buffi 13, CH-6900 Lugano, Switzerland
[2] Statistical and Biological Physićs, SISSA, Via Beirut 2, 3400 Trieste, Italy
来源
关键词
D O I
暂无
中图分类号
学科分类号
摘要
Journal article (JA)
引用
收藏
页码:13435 / 13441
相关论文
共 50 条
  • [31] Folding free-energy landscape of an alpha/beta fold protein from replica exchange molecular dynamics simulations
    Wu, Chun
    Bowers, Michael T.
    Shea, Joan-Emma
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [32] Kinetic reconstruction of the free-energy landscape
    Wedekind, Jan
    Reguera, David
    JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (35): : 11060 - 11063
  • [33] FREE-ENERGY BALANCE IN PROTEIN-FOLDING
    HONIG, B
    YANG, AS
    ADVANCES IN PROTEIN CHEMISTRY, VOL 46: PROTEIN STABILITY, 1995, 46 : 27 - 58
  • [34] FREE-ENERGY CALCULATIONS IN PROTEIN FOLDING AND DESIGN
    EISENBERG, D
    WILCOX, W
    CONWAY, JD
    YAMASHITA, M
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1986, 192 : 1 - PHYS
  • [35] Free-energy landscape of enzyme catalysis
    Benkovic, Stephen J.
    Hammes, Gordon G.
    Hammes-Schiffer, Sharon
    BIOCHEMISTRY, 2008, 47 (11) : 3317 - 3321
  • [36] Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers
    Yonezawa, Yasushige
    Shimoyama, Hiromitsu
    Nakamura, Haruki
    CHEMICAL PHYSICS LETTERS, 2011, 501 (4-6) : 598 - 602
  • [37] Predictive and reproducible de novo all-atom folding of a β-hairpin loop in an improved free-energy forcefield
    Verma, Abhinav
    Wenzel, Wolfgang
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2007, 19 (28)
  • [38] Characterization of the free-energy landscapes of proteins by NMR-guided metadynamics
    Granata, Daniele
    Camilloni, Carlo
    Vendruscolo, Michele
    Laio, Alessandro
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 110 (17) : 6817 - 6822
  • [39] Analysis of the Free-Energy Surface of Proteins from Reversible Folding Simulations
    Allen, Lucy R.
    Krivov, Sergei V.
    Paci, Emanuele
    PLOS COMPUTATIONAL BIOLOGY, 2009, 5 (07)
  • [40] Free-energy landscape of protein oligomerization from atomistic simulations
    Barducci, Alessandro
    Bonomi, Massimiliano
    Prakash, Meher K.
    Parrinello, Michele
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2013, 110 (49) : E4708 - E4713