Molecular dynamics of RNA with the OPLS force field. Aqueous simulation of a hairpin containing a tetranucleotide loop

被引：0
|
作者：
机构：
来源：
| 1600年 / ACS, Washington, DC, USA卷 / 117期
关键词：
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
  • [1] MOLECULAR-DYNAMICS OF RNA WITH THE OPLS FORCE-FIELD - AQUEOUS SIMULATION OF A HAIRPIN CONTAINING A TETRANUCLEOTIDE LOOP
    ZICHI, DA
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (11) : 2957 - 2969
  • [2] Viscosity prediction of Pongamia pinnata (Karanja) oil by molecular dynamics simulation using GAFF and OPLS force field
    Sneha, E.
    Revikumar, Amjesh
    Singh, Jaykumar Y.
    Thampi, Ananthan D.
    Rani, S.
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2020, 101 (101):
  • [3] Enthalpies of mixing predicted using molecular dynamics simulations and OPLS force field
    Dai, Jianxing
    Li, Xiaofeng
    Zhao, Lifeng
    Sun, Huai
    FLUID PHASE EQUILIBRIA, 2010, 289 (02) : 156 - 165
  • [4] Origins of biological function in DNA and RNA hairpin loop motifs from replica exchange molecular dynamics simulation
    Swadling, Jacob B.
    Ishii, Kunihiko
    Tahara, Tahei
    Kitao, Akio
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 20 (05) : 2990 - 3001
  • [5] Molecular dynamics simulation of nonisothermal crystallization of a single polyethylene chain and short polyethylene chains based on OPLS force field
    Lv, Yunlong
    Ruan, Chunlei
    E-POLYMERS, 2022, 22 (01) : 136 - 146
  • [6] Folding of a Small RNA Hairpin Based on Simulation with Replica Exchange Molecular Dynamics
    Zuo, Guanghong
    Li, Wenfei
    Zhang, Jian
    Wang, Jin
    Wang, Wei
    JOURNAL OF PHYSICAL CHEMISTRY B, 2010, 114 (17): : 5835 - 5839
  • [7] A molecular dynamics study of liquid aliphatic alcohols: simulation of density and self-diffusion coefficient using a modified OPLS force field
    Kulschewski, Tobias
    Pleiss, Juergen
    MOLECULAR SIMULATION, 2013, 39 (09) : 754 - 767
  • [8] Force field model and molecular dynamics simulation of polyynes
    Xie, Liqing
    Yan, Liuming
    Sun, Chao
    Zhao, Xinluo
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 997 : 14 - 18
  • [9] Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics
    Jamali, Seyed Hossein
    van Westen, Thijs
    Moultos, Othonas A.
    Vlugt, Thijs J. H.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (12) : 6690 - 6700
  • [10] Molecular Dynamics Simulation for the Calibration of the OPLS Force Field Using DFT Derived Partial Charges for the Screening of Alkyl Phosphate Ligands by Studying Structure, Dynamics, and Thermodynamics
    Das, Arya
    Sahu, Pooja
    Ali, Sk. Musharaf
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 2017, 62 (08): : 2280 - 2295
12345