Improved Kinetics of Molecular Simulations using Biased Markov State Models

被引:1
|
作者
Rudzinski, Joseph F. [1 ]
Kremer, Kurt [1 ]
Bereau, Tristan [1 ]
机构
[1] Max Planck Inst Polymer Res, Theory Grp, Mainz, Germany
关键词
D O I
10.1016/j.bpj.2015.11.2800
中图分类号
Q6 [生物物理学];
学科分类号
071011 ;
摘要
2580-Plat
引用
收藏
页码:523A / 523A
页数:1
相关论文
共 50 条
  • [31] Markov models and dynamical fingerprints: Unraveling the complexity of molecular kinetics
    Keller, Bettina G.
    Prinz, Jan-Hendrik
    Noe, Frank
    CHEMICAL PHYSICS, 2012, 396 : 92 - 107
  • [32] Markov State Models for Rare Events in Molecular Dynamics
    Sarich, Marco
    Banisch, Ralf
    Hartmann, Carsten
    Schuette, Christof
    ENTROPY, 2014, 16 (01): : 258 - 286
  • [33] Markov field models: Scaling molecular kinetics approaches to large molecular machines
    Hempel, Tim
    Olsson, Simon
    Noe, Frank
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 2022, 77
  • [34] Improved Estimates of Folding Stabilities and Kinetics from Multiensemble Markov Models
    Zhang, Si
    Voelz, Vincent
    BIOPHYSICAL JOURNAL, 2020, 118 (03) : 139A - 139A
  • [35] The mechanism of RNA base fraying: Molecular dynamics simulations analyzed with core-set Markov state models
    Pinamonti, Giovanni
    Paul, Fabian
    Noe, Frank
    Rodriguez, Alex
    Bussi, Giovanni
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (15):
  • [36] Characterization of Coarse-Grained Helix-Coil Transition Kinetics using Markov State Models
    Rudzinski, Joseph F.
    Kremer, Kurt
    Bereau, Tristan
    BIOPHYSICAL JOURNAL, 2017, 112 (03) : 194A - 194A
  • [37] Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State Models
    Gilabert, Joan F.
    Carmona, Oriol Gracia
    Hogner, Anders
    Guallar, Victor
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2020, 60 (11) : 5529 - 5539
  • [38] Application of Markov State Models to dramatically enhance sampling of complex biomolecular simulations
    Pande, Vijay
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
  • [39] Improved state change estimation in dynamic functional connectivity using hidden semi-Markov models
    Shappell, Heather
    Caffo, Brian S.
    Pekar, James J.
    Lindquist, Martin A.
    NEUROIMAGE, 2019, 191 : 243 - 257
  • [40] Hidden Markov models from molecular dynamics simulations of DNA deformations.
    Beveridge, DL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U524 - U524