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：
BMC Bioinformatics | / 12卷
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
  • [41] Molecular Dynamics Simulation of Thermal Decomposition of Hydrogen
    Kudinov, A. V.
    Bogdanova, Yu. A.
    Gubin, S. A.
    PHYSICS OF ATOMIC NUCLEI, 2019, 82 (11) : 1486 - 1489
  • [42] Molecular dynamics simulation of microscopic structure and hydrogen bond network of the pristine and phosphoric acid doped polybenzimidazole
    Zhu, Suhua
    Yan, Liuming
    Zhang, Dongfang
    Feng, Qingxia
    POLYMER, 2011, 52 (03) : 881 - 892
  • [43] Molecular dynamics simulation of hydrogen bonding in monoethanolamine
    Button, JK
    Gubbins, KE
    Tanaka, H
    Nakanishi, K
    FLUID PHASE EQUILIBRIA, 1996, 116 (1-2) : 320 - 325
  • [44] Diffusion of hydrogen in graphite: a molecular dynamics simulation
    Herrero, Carlos P.
    Ramirez, Rafael
    JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2010, 43 (25)
  • [45] Molecular Dynamics Simulation on Stability of Insulin on Graphene
    Liang, Li-jun
    Wang, Qi
    Wu, Tao
    Shen, Jia-wei
    Kang, Yu
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2009, 22 (06) : 627 - 634
  • [46] Evaluation the Protein Stability by Molecular Dynamics Simulation
    Kameda, Tomoshi
    Kobayashi, Kaito
    Irumagawa, Shin
    Arai, Ryoichi
    Saito, Yutaka
    Miyata, Takeshi
    Umetsu, Mitsuo
    BIOPHYSICAL JOURNAL, 2020, 118 (03) : 509A - 509A
  • [47] ANALYSIS OF HYDROGEN-BONDING AND STABILITY OF PROTEIN SECONDARY STRUCTURES IN MOLECULAR-DYNAMICS SIMULATION
    VIJAYAKUMAR, S
    VISHVESHWARA, S
    RAVISHANKER, G
    BEVERIDGE, DL
    MODELING THE HYDROGEN BOND, 1994, 569 : 175 - 193
  • [48] Hydrogen bond lifetime for water in classic and quantum molecular dynamics
    Antipova, M. L.
    Petrenko, V. E.
    RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2013, 87 (07) : 1170 - 1174
  • [49] Hydrogen bond lifetime for water in classic and quantum molecular dynamics
    M. L. Antipova
    V. E. Petrenko
    Russian Journal of Physical Chemistry A, 2013, 87 : 1170 - 1174
  • [50] Aspherical particle models for molecular dynamics simulation
    Trung Dac Nguyen
    Plimpton, Steven J.
    COMPUTER PHYSICS COMMUNICATIONS, 2019, 243 (12-24) : 12 - 24
12345