Target-blind conformational sampling in all-atom protein simulations with temperature-accelerated molecular dynamics

被引:0
|
作者
Vashisth, Harish [1 ]
Abrams, Cameron F. [1 ]
机构
[1] Drexel Univ, Dept Chem & Biol Engn, Philadelphia, PA 19104 USA
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
327-COMP
引用
收藏
页数:1
相关论文
共 50 条
  • [21] All-Atom Molecular Dynamics Simulations of Communication Between Nanochannel Arrays
    Manikandan, D.
    Nayak, Pramoda K. K.
    ACS APPLIED NANO MATERIALS, 2023, 6 (13) : 11640 - 11650
  • [22] All-Atom and Coarse-Grained Molecular Dynamics Simulations of a Membrane Protein Stabilizing Polymer
    Perlmutter, Jason D.
    Drasler, William J., II
    Xie, Wangshen
    Gao, Jiali
    Popot, Jean-Luc
    Sachs, Jonathan N.
    LANGMUIR, 2011, 27 (17) : 10523 - 10537
  • [23] An independent method for the analysis of protein folding kinetics from all-atom molecular dynamics simulations
    Marianayagam, NJ
    Brown, AG
    Jackson, SE
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2005, 23 (01): : 73 - 76
  • [24] All-Atom Molecular Dynamics Simulations of Beta-Solenoid Protein Self-Assembly
    Parker, Amanda
    Cox, Daniel
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 63A - 63A
  • [25] Protein Structure Prediction Using an Associated Memory Hamiltonian and All-Atom Molecular Dynamics Simulations
    Kwac, Kijeong
    Wolynes, Peter G.
    BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 2008, 29 (11): : 2172 - 2182
  • [26] A flexible all-atom model of dimethyl sulfoxide for molecular dynamics simulations
    Strader, ML
    Feller, SE
    JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (06): : 1074 - 1080
  • [27] All-atom molecular dynamics simulations of nematic liquid crystal elastomers
    Mahardika, Nanang
    Raistrick, Thomas
    Mihai, L. Angela
    Wang, Haoran
    INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES, 2024, 291
  • [28] All-Atom Molecular Dynamics Simulations of Dimeric Lung Surfactant Protein B in Lipid Multilayers
    Robichaud, Nicholas A. S.
    Khatami, Mohammad Hassan
    Saika-Voivod, Ivan
    Booth, Valerie
    INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 20 (16)
  • [29] Refinement of protein structure homology models via long, all-atom molecular dynamics simulations
    Raval, Alpan
    Piana, Stefano
    Eastwood, Michael P.
    Dror, Ron O.
    Shaw, David E.
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2012, 80 (08) : 2071 - 2079
  • [30] Protein Folding Simulations: Combining Coarse-grained Models and All-atom Molecular Dynamics
    Giorgio Colombo
    Cristian Micheletti
    Theoretical Chemistry Accounts, 2006, 116 : 75 - 86