Towards experimentally parametrized molecular dynamics force field for intrinsically disordered proteins

被引：0
|
作者：
Suresh, Athul [1 ]
Schweitzer-Stenner, Reinhard [2 ]
Urbanc, Brigita [1 ]
机构：
[1] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA
[2] Drexel Univ, Dept Chem, Philadelphia, PA 19104 USA
来源：
BIOPHYSICAL JOURNAL | 2024年 / 123卷 / 03期
关键词：
D O I：
暂无
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
377-Pos
引用
收藏
页码：72A / 72A
页数：1
相关论文
共 50 条
  • [41] CHARMM36m: An improved force field for folded and intrinsically disordered proteins
    Huang J.
    Rauscher S.
    Nawrocki G.
    Ran T.
    Feig M.
    De Groot B.L.
    Grubmüller H.
    MacKerell A.D., Jr.
    Nature Methods, 2017, 14 (1) : 71 - 73
  • [42] AWSEM-IDP: A Coarse-Grained Force Field for Intrinsically Disordered Proteins
    Wu, Hao
    Wolynes, Peter G.
    Papoian, Garegin A.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2018, 122 (49): : 11115 - 11125
  • [43] Secondary structures transition of tau protein with intrinsically disordered proteins specific force field
    Dan, Aohuan
    Chen, Hai-Feng
    CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 93 (03) : 242 - 253
  • [44] CHARMM36m: an improved force field for folded and intrinsically disordered proteins
    Huang, Jing
    Rauscher, Sarah
    Nawrocki, Grzegorz
    Ran, Ting
    Feig, Michael
    de Groot, Bert L.
    Grubmueller, Helmut
    MacKerell, Alexander D., Jr.
    NATURE METHODS, 2017, 14 (01) : 71 - 73
  • [45] Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
    Rauscher, Sarah
    Gapsys, Vytautas
    Gajda, Michal J.
    Zweckstetter, Markus
    de Groot, Bert L.
    Grubmueller, Helmut
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (11) : 5513 - 5524
  • [46] Personal Precise Force Field for Intrinsically Disordered and Ordered Proteins Based on Deep Learning
    Ji, Xiaoyue
    Liu, Hao
    Zhang, Yangpeng
    Chen, Jun
    Chen, Hai-Feng
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2022, 63 (01) : 362 - 374
  • [47] Test and Evaluation of ff99IDPs Force Field for Intrinsically Disordered Proteins
    Ye, Wei
    Ji, Dingjue
    Wang, Wei
    Luo, Ray
    Chen, Hai-Feng
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2015, 55 (05) : 1021 - 1029
  • [48] Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
    Rauscher, Sarah
    Gapsys, Vytautas
    Zhou, Man
    Van, Qui
    Gajda, Michal
    Zweckstetter, Markus
    Enderlein, Joerg
    de Groot, Bert L.
    Grubmueller, Helmut
    BIOPHYSICAL JOURNAL, 2016, 110 (03) : 358A - 358A
  • [49] Structural and dynamics analysis of intrinsically disordered proteins by high-speed atomic force microscopy
    Kodera, Noriyuki
    Noshiro, Daisuke
    Dora, Sujit K.
    Mori, Tetsuya
    Habchi, Johnny
    Blocquel, David
    Gruet, Antoine
    Dosnon, Marion
    Salladini, Edoardo
    Bignon, Christophe
    Fujioka, Yuko
    Oda, Takashi
    Noda, Nobuo N.
    Sato, Mamoru
    Lotti, Marina
    Mizuguchi, Mineyuki
    Longhi, Sonia
    Ando, Toshio
    NATURE NANOTECHNOLOGY, 2021, 16 (02) : 181 - +
  • [50] Dynamics Based Drug Design for Intrinsically Disordered Proteins
    Maity, Barun K.
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 590A - 590A
12345