Learning probabilistic models of hydrogen bond stability from molecular dynamics simulation trajectories

被引:0
|
作者
Igor Chikalov
Peggy Yao
Mikhail Moshkov
Jean-Claude Latombe
机构
[1] King Abdullah University of Science and Technology,Mathematical and Computer Sciences & Engineering Division
[2] Stanford University,Biomedical Informatics
[3] Stanford University,Computer Science Department
来源
关键词
Root Mean Square Error; Leaf Node; Regression Tree; Data Table; Secondary Structure Element;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [21] Learning probabilistic logic models from probabilistic examples
    Jianzhong Chen
    Stephen Muggleton
    José Santos
    Machine Learning, 2008, 73 : 55 - 85
  • [22] Learning probabilistic logic models from probabilistic examples
    Chen, Jianzhong
    Muggleton, Stephen
    Santos, Jose
    MACHINE LEARNING, 2008, 73 (01) : 55 - 85
  • [23] Inferring the existence of hydrogen bonds directly from statistical analysis of molecular dynamics trajectories
    Chuiko, Valerii
    Ayers, Paul W.
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (17):
  • [24] MOLECULAR-DYNAMICS IN POLYMERS AND HYDROGEN-BOND
    GUSAKOVA, GV
    SMOLYANSKII, AL
    VYSOKOMOLEKULYARNYE SOEDINENIYA SERIYA A, 1988, 30 (04): : 799 - 806
  • [25] The impact of interchain hydrogen bonding on -hairpin stability is readily predicted by molecular dynamics simulation
    Niebling, Stephan
    Danelius, Emma
    Brath, Ulrika
    Westenhoff, Sebastian
    Erdelyi, Mate
    BIOPOLYMERS, 2015, 104 (06) : 703 - 706
  • [26] Stability analysis for binary sII hydrogen-promoter hydrates by molecular dynamics simulation
    Iwai, Yoshio
    Aokawa, Ryuta
    MOLECULAR SIMULATION, 2015, 41 (09) : 735 - 740
  • [27] Learning molecular models from microscopic simulation and experimental data
    Clementi, Cecilia
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 257
  • [28] Hydrogen Raman shifts in carbon nanotubes from molecular dynamics simulation
    Frankland, SJV
    Brenner, DW
    CHEMICAL PHYSICS LETTERS, 2001, 334 (1-3) : 18 - 23
  • [29] Molecular Simulation of Covalent Bond Dynamics in Liquid Silicon
    Remsing, Richard C.
    Klein, Michael L.
    JOURNAL OF PHYSICAL CHEMISTRY B, 2020, 124 (15): : 3180 - 3185
  • [30] Molecular simulation: A view from the bond
    Tildesley, DJ
    FARADAY DISCUSSIONS, 1995, 100 : C29 - C45