COMP 8-Multiplexed replica exchange molecular dynamics simulations of protein folding with a physics-based coarse-grained force field

被引：0
|
作者：
Czaplewski, Czarek [1 ]
Kalinowski, Sebastian [1 ]
Liwo, Adam [1 ]
Oldziej, Stanislaw [1 ]
Scheraga, Harold A. [1 ]
机构：
[1] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2008年 / 235卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
8-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [31] Applicability of the MARTINI Coarse-Grained Force Field for Simulations of Protein Oligomers in Crystallization Solution
    Kordonskaya, Yu. V.
    Timofeev, V. I.
    Marchenkova, M. A.
    Pisarevsky, Yu. V.
    Dyakova, Yu. A.
    Kovalchuk, M. V.
    CRYSTALLOGRAPHY REPORTS, 2024, 69 (05) : 750 - 755
  • [32] Ergodicity and Model Quality in Template-Restrained Canonical and Temperature/Hamiltonian Replica Exchange Coarse-Grained Molecular Dynamics Simulations of Proteins
    Karczynska, Agnieszka S.
    Czaplewski, Cezary
    Krupa, Pawel
    Mozolewska, Magdalena A.
    Joo, Keehyoung
    Lee, Jooyoung
    Liwo, Adam
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 38 (31) : 2730 - 2746
  • [33] UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations
    Krupa, Pawel
    Karczynska, Agnieszka S.
    Mozolewska, Magdalena A.
    Liwo, Adam
    Czaplewski, Cezary
    BIOINFORMATICS, 2021, 37 (11) : 1613 - 1615
  • [34] Long-Time Dynamics of Selected Molecular-Motor Components Using a Physics-Based Coarse-Grained Approach
    Liwo, Adam
    Pyrka, Maciej
    Czaplewski, Cezary
    Peng, Xubiao
    Niemi, Antti J.
    BIOMOLECULES, 2023, 13 (06)
  • [35] UNRES-GPU for physics-based coarse-grained simulations of protein systems at biological time- and size-scales
    Ocetkiewicz, Krzysztof M.
    Czaplewski, Cezary
    Krawczyk, Henryk
    Lipska, Agnieszka G.
    Liwo, Adam
    Proficz, Jerzy
    Sieradzan, Adam K.
    Czarnul, Pawel
    BIOINFORMATICS, 2023, 39 (06)
  • [36] CGDB: A database of membrane protein/lipid interactions by coarse-grained molecular dynamics simulations
    Chetwynd, Alan P.
    Scott, Kathryn A.
    Mokrab, Younes
    Sansom, Mark S. P.
    MOLECULAR MEMBRANE BIOLOGY, 2008, 25 (08) : 662 - 669
  • [37] Beam theory of cellular microfilaments based on coarse-grained molecular force field
    Huang, Kun
    Yin, Yajun
    RESULTS IN PHYSICS, 2024, 58
  • [38] Coarse-grained force-field for large scale molecular dynamics simulations of polyacrylamide and polyacrylamide-gels based on quantum mechanics
    Zheng, Mei
    Jaramillo-Botero, Andres
    Ju, Xue-hai
    Goddard, William A., III
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2021, 23 (18) : 10909 - 10918
  • [39] Investigation of Phosphorylation-Induced Folding of an Intrinsically Disordered Protein by Coarse-Grained Molecular Dynamics
    Sieradzan, Adam K.
    Korneev, Anatolii
    Begun, Alexander
    Kachlishvili, Khatuna
    Scheraga, Harold A.
    Molochkov, Alexander
    Senet, Patrick
    Niemi, Antti J.
    Maisuradze, Gia G.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2021, 17 (05) : 3203 - 3220
  • [40] PHYS 422-A physics-based, coarse-grained model with orientation-dependent hydrogen bond potential for investigating protein folding
    Yap, Eng Hui
    Fawzi, Nicolas Lux
    Head-Gordon, Teresa
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232
12345