Analysis of mapping atomic models to coarse-grained resolution

被引：0
|
作者：
Kidder, Katherine M. [1 ]
Noid, W.G. [1 ]
机构：
[1] Department of Chemistry, The Pennsylvania State University, University Park,PA,16802, United States
来源：
Journal of Chemical Physics | 2024年 / 161卷 / 13期
关键词：
D O I：
10.1063/5.0220989
中图分类号：
学科分类号：
摘要：
115
引用
下载
收藏
相关论文
共 50 条
  • [1] A mapping from atomistic polymer models to coarse-grained models
    Paul, W
    MULTISCALE COMPUTATIONAL METHODS IN CHEMISTRY AND PHYSICS, 2001, 177 : 285 - 287
  • [2] Coarse-grained and atomic resolution biomolecular docking with the ATTRACT approach
    Glashagen, Glenn
    de Vries, Sjoerd
    Uciechowska-Kaczmarzyk, Urszula
    Samsonov, Sergey A.
    Murail, Samuel
    Tuffery, Pierre
    Zacharias, Martin
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2020, 88 (08) : 1018 - 1028
  • [3] Estimation of error in observables of coarse-grained models of atomic systems
    Oden J.T.
    Farrell K.
    Faghihi D.
    Advanced Modeling and Simulation in Engineering Sciences, 2 (1)
  • [4] SIRAH tools: mapping, backmapping and visualization of coarse-grained models
    Machado, Matias R.
    Pantano, Sergio
    BIOINFORMATICS, 2016, 32 (10) : 1568 - 1570
  • [5] Coarse-grained models of water
    Darre, Leonardo
    Machado, Matias R.
    Pantano, Sergio
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2012, 2 (06) : 921 - 930
  • [6] Reconstructing atomistic detail for coarse-grained models with resolution exchange
    Liu, Pu
    Shi, Qiang
    Lyman, Edward
    Voth, Gregory A.
    JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (11):
  • [7] The impact of resolution upon entropy and information in coarse-grained models
    Foley, Thomas T.
    Shell, M. Scott
    Noid, W. G.
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (24):
  • [8] Coarse-grained models for macromolecules
    Yethiraj, Arun
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [9] Coarse-grained models for proteins
    Tozzini, V
    CURRENT OPINION IN STRUCTURAL BIOLOGY, 2005, 15 (02) : 144 - 150
  • [10] High-Resolution Coarse-Grained Modeling Using Oriented Coarse-Grained Sites
    Haxton, Thomas K.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015, 11 (03) : 1244 - 1254
12345