ENERGY LANDSCAPES;
PROTEIN;
DIFFUSION;
TRAJECTORIES;
COEFFICIENTS;
DYNAMICS;
RATES;
TIMES;
D O I:
10.1063/1.4935706
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
学科分类号:
070304 ;
081704 ;
摘要:
Recent single molecule measurements of biomolecular folding achieved the time resolution sufficient for observation of individual transition paths. This note discusses several ways in which transition path ensembles can be statistically analyzed to extract a single, "typical" transition path. Analytical approximations derived here for such a transition path further allow one to estimate dynamical parameters (such as the intramolecular diffusion coefficient) directly from the transition path shapes. (C) 2015 AIP Publishing LLC.
机构:
NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USANIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA
Berezhkovskii, Alexander M.
;
Hummer, Gerhard
论文数: 0引用数: 0
h-index: 0
机构:NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA
Hummer, Gerhard
;
Bezrukov, Sergey M.
论文数: 0引用数: 0
h-index: 0
机构:NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA
机构:
NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USANIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA
Berezhkovskii, Alexander M.
;
Hummer, Gerhard
论文数: 0引用数: 0
h-index: 0
机构:NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA
Hummer, Gerhard
;
Bezrukov, Sergey M.
论文数: 0引用数: 0
h-index: 0
机构:NIH, Math & Stat Comp Lab, Div Computat Biosci, Ctr Informat Technol, Bethesda, MD 20892 USA