ON THE EVALUATION OF ELECTROSTATIC INTERACTIONS IN MOLECULAR MODELING

被引:0
|
作者
GREENGARD, L [1 ]
ROKHLIN, V [1 ]
机构
[1] NYU,COURANT INST MATH SCI,NEW YORK,NY 10012
来源
CHEMICA SCRIPTA | 1989年 / 29A卷
关键词
D O I
暂无
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
引用
收藏
页码:139 / 144
页数:6
相关论文
共 50 条
  • [21] Modeling molecular interactions.
    Wilson, LY
    Famini, GR
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1999, 217 : U706 - U706
  • [22] A LOCAL REACTION FIELD METHOD FOR FAST EVALUATION OF LONG-RANGE ELECTROSTATIC INTERACTIONS IN MOLECULAR SIMULATIONS
    LEE, FS
    WARSHEL, A
    JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (05): : 3100 - 3107
  • [23] ELECTROSTATIC MODELING OF DIPOLE-ION INTERACTIONS IN GRAMICIDINLIKE CHANNELS
    SANCHO, M
    MARTINEZ, G
    BIOPHYSICAL JOURNAL, 1991, 60 (01) : 81 - 88
  • [24] Integral equation modeling of electrostatic interactions in atomic force microscopy
    Shen, Y.
    Barnett, D. M.
    Pinsky, P. M.
    INTEGRAL METHODS IN SCIENCE AND ENGINEERING: TECHNIQUES AND APPLICATIONS, 2008, : 237 - 246
  • [25] Geometric and electrostatic modeling using molecular rigidity functions
    Mu, Lin
    Xia, Kelin
    Wei, Guowei
    JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS, 2017, 313 : 18 - 37
  • [26] MODELING ELECTROSTATIC INTERACTIONS IN PROTEINS WITH THE FINITE-DIFFERENCE METHOD
    OBEROI, H
    ALLEWELL, NM
    BIOPHYSICAL JOURNAL, 1993, 64 (02) : A165 - A165
  • [27] Comparison of the Ewald and Wolf methods for modeling electrostatic interactions in nanowires
    Gdoutos, Eleftherios E.
    Agrawal, Ravi
    Espinosa, Horacio D.
    INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING, 2010, 84 (13) : 1541 - 1551
  • [28] Assessment of an Electrostatic Energy-Based Charge Model for Modeling the Electrostatic Interactions in Water Solvent
    Wang, Xianwei
    Wang, Yiying
    Guo, Man
    Wang, Xuechao
    Li, Yang
    Zhang, John Z. H.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 19 (18) : 6294 - 6312
  • [29] Novel molecular device based on electrostatic interactions in organic polymers
    Kwok, HL
    Xu, JB
    PROCEEDINGS OF THE SIXTH CHINESE OPTOELECTRONICS SYMPOSIUM, 2003, : 259 - 262
  • [30] Parameterization of electrostatic interactions for molecular dynamics simulations of heterocyclic polymers
    Nazarychev, Victor M.
    Larin, Sergey V.
    Yakimansky, Alexander V.
    Lukasheva, Natalia V.
    Gurtovenko, Andrey A.
    Gofman, Iosif V.
    Yudin, Vladimir E.
    Svetlichnyi, Valentin M.
    Kenny, Jose M.
    Lyulin, Sergey V.
    JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 2015, 53 (13) : 912 - 923