A fast and general continuum approach for describing electrostatic effects in molecular dynamics simulations of biomolecules

被引:0
|
作者
Hassan, SA [1 ]
Zhang, DQ [1 ]
Mehler, E [1 ]
Weinstein, H [1 ]
机构
[1] Mt Sinai Sch Med, New York, NY 10029 USA
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
2363
引用
收藏
页码:484A / 484A
页数:1
相关论文
共 50 条
  • [1] Molecular dynamics simulations of biomolecules: Long-range electrostatic effects
    Sagui, C
    Darden, TA
    ANNUAL REVIEW OF BIOPHYSICS AND BIOMOLECULAR STRUCTURE, 1999, 28 : 155 - 179
  • [2] Molecular dynamics simulations of biomolecules
    Martin Karplus
    J. Andrew McCammon
    Nature Structural Biology, 2002, 9 : 646 - 652
  • [3] Molecular dynamics simulations of biomolecules
    Karplus, M
    ACCOUNTS OF CHEMICAL RESEARCH, 2002, 35 (06) : 321 - 323
  • [4] Molecular dynamics simulations of biomolecules
    Karplus, M
    McCammon, JA
    NATURE STRUCTURAL BIOLOGY, 2002, 9 (09) : 646 - 652
  • [5] Erratum: Molecular dynamics simulations of biomolecules
    Martin Karplus
    J. Andrew McCammon
    Nature Structural Biology, 2002, 9 : 788 - 788
  • [6] Accelerating molecular dynamics simulations by a hybrid molecular dynamics-continuum mechanical approach
    Bauer, Christof
    Ries, Maximilian
    Pfaller, Sebastian
    SOFT MATERIALS, 2022, 20 (04) : 428 - 443
  • [7] Accelerators for Classical Molecular Dynamics Simulations of Biomolecules
    Jones, Derek
    Allen, Jonathan E.
    Yang, Yue
    Bennett, William F. Drew
    Gokhale, Maya
    Moshiri, Niema
    Rosing, Tajana S.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2022, : 4047 - 4069
  • [8] Spotting the difference in molecular dynamics simulations of biomolecules
    Sakuraba, Shun
    Kono, Hidetoshi
    JOURNAL OF CHEMICAL PHYSICS, 2016, 145 (07):
  • [9] Structure Of Biomolecules Through Molecular Dynamics Simulations
    Arnittali, Maria
    Rissanou, Anastassia N.
    Harmandaris, Vagelis
    8TH INTERNATIONAL YOUNG SCIENTISTS CONFERENCE ON COMPUTATIONAL SCIENCE, YSC2019, 2019, 156 : 69 - 78
  • [10] Equilibration and sampling in molecular dynamics simulations of biomolecules
    Stella, L
    Melchionna, S
    JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (23): : 10115 - 10117