RNA Conformational Ensembles: Narrowing the GAP between Experiments and Simulations with Metadynamics

被引：0
|
作者：
Gil-Ley, Alejandro [1 ]
Bottaro, Sandro [1 ]
Bussi, Giovanni [1 ]
机构：
[1] SISSA, Phys, I-34014 Trieste, Italy
来源：
BIOPHYSICAL JOURNAL | 2016年 / 110卷 / 03期
关键词：
D O I：
10.1016/j.bpj.2015.11.2796
中图分类号：
Q6 [生物物理学];
学科分类号：
071011 ;
摘要：
2576-Plat
引用
收藏
页码：522A / 523A
页数：3
相关论文
共 50 条
  • [1] RNA conformational ensembles: Narrowing the gap between experiments and simulations with metadynamics
    Gil-Ley, Alejandro
    Bottaro, Sandro
    Bussi, Giovanni
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251
  • [2] Conformational ensembles of RNA oligonucleotides from integrating NMR and molecular simulations
    Bottaro, Sandro
    Bussi, Giovanni
    Kennedy, Scott D.
    Turner, Douglas H.
    Lindorff-Larsen, Kresten
    SCIENCE ADVANCES, 2018, 4 (05):
  • [3] Application of metadynamics to speed up simulations of conformational changes
    Spiwok, V.
    Kralova, B.
    FEBS JOURNAL, 2009, 276 : 391 - 391
  • [4] Simulations and computer testing: Narrowing the gap between the job and the assessment of skills
    Browning, A
    ANTEC '96: PLASTICS - RACING INTO THE FUTURE, VOLS I-III: VOL I: PROCESSING; VOL II: MATERIALS; VOL III: SPACIAL AREAS, 1996, 42 : 2901 - 2904
  • [5] How to Determine Accurate Conformational Ensembles by Metadynamics Metainference: A Chignolin Study Case
    Paissoni, Cristina
    Camilloni, Carlo
    FRONTIERS IN MOLECULAR BIOSCIENCES, 2021, 8
  • [6] Linking Well-Tempered Metadynamics Simulations with Experiments
    Barducci, Alessandro
    Bonomi, Massimiliano
    Parrinello, Michele
    BIOPHYSICAL JOURNAL, 2010, 98 (09) : L44 - L46
  • [7] Narrowing the gap between affinity and efficacy with RNA-targeted peptidomimetics
    Miller, Benjamin
    Anokhina, Viktoriya
    McAnany, John
    Swart, Oliver
    Hilimire, Thomas
    Chamberlain, Jeffrey
    Dewhurst, Steve
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2018, 255
  • [8] Nearest neighbor parameters for RNA from metadynamics simulations
    Darvas, M.
    Bussi, G.
    EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, 2013, 42 : S191 - S191
  • [9] Atomistic molecular simulations of Aβ-Zn conformational ensembles
    Aduriz-Arrizabalaga, Julen
    Lopez, Xabier
    De Sancho, David
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2024, 92 (01) : 134 - 144
  • [10] Minimally-Biased Metadynamics Method to Sample Conformational Ensembles Compatible with Experimental Measurements
    Marinelli, Fabrizio
    Faraldo-Gomez, Jose D.
    BIOPHYSICAL JOURNAL, 2015, 108 (02) : 158A - 158A
12345