Folding simulation of polypeptides, free energy landscape calculation and effects of solvation

被引:0
|
作者
Gao, Yi Qin [1 ]
机构
[1] Peking Univ, Coll Chem & Mol Engn, Inst Theoret & Computat Chem, Beijing 100871, Peoples R China
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
284-PHYS
引用
收藏
页数:1
相关论文
共 50 条
  • [21] Continuum and discrete calculation of fractional contributions to solvation free energy
    Morreale, A
    Gelpí, JL
    Luque, FJ
    Orozco, M
    JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (13) : 1610 - 1623
  • [22] Calculation of the free energy of solvation from molecular dynamics simulations
    Gonçalves, PFB
    Stassen, H
    PURE AND APPLIED CHEMISTRY, 2004, 76 (01) : 231 - 240
  • [23] Estimating protein-ligand binding free energy: Atomic solvation parameters for partition coefficient and solvation free energy calculation
    Pei, JF
    Wang, Q
    Zhou, JJ
    Lai, LH
    PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2004, 57 (04) : 651 - 664
  • [24] The free energy landscape of protein folding and dynamics: a global view
    Yang, Li-Quan
    Ji, Xing-Lai
    Liu, Shu-Qun
    JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2013, 31 (09): : 982 - 992
  • [25] Folding Free Energy Landscape of Ordered and Intrinsically Disordered Proteins
    Chong, Song-Ho
    Ham, Sihyun
    SCIENTIFIC REPORTS, 2019, 9 (1)
  • [26] Folding Free Energy Landscape of Ordered and Intrinsically Disordered Proteins
    Song-Ho Chong
    Sihyun Ham
    Scientific Reports, 9
  • [27] Solvation effects on free energy surface of polyalanine
    Gökoglu, G
    Arkin, H
    Aktürk, E
    Çelik, T
    INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2005, 16 (09): : 1489 - 1496
  • [28] Calculation of Ion-Dependent RNA Folding Free Energy using Coarse-Grained Simulation
    Nguyen, Hung T.
    Thirumalai, Dave
    BIOPHYSICAL JOURNAL, 2018, 114 (03) : 214A - 214A
  • [29] PROTEIN MODEL STRUCTURE EVALUATION USING THE SOLVATION FREE-ENERGY OF FOLDING
    CHICHE, L
    GREGORET, LM
    COHEN, FE
    KOLLMAN, PA
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1990, 87 (08) : 3240 - 3243
  • [30] SOLVATION ENERGY IN PROTEIN FOLDING AND BINDING
    EISENBERG, D
    MCLACHLAN, AD
    NATURE, 1986, 319 (6050) : 199 - 203