Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

2017 ◽  
Vol 147 (18) ◽  
pp. 184107 ◽  
Author(s):  
Masataka Yamauchi ◽  
Hisashi Okumura
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Pressure Dependence ◽  
Temperature And Pressure

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

1996 ◽  
Vol 259 (3-4) ◽  
pp. 321-330 ◽  
Author(s):  
Ulrich H.E. Hansmann ◽  
Yuko Okamoto ◽  
Frank Eisenmenger
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations

Magnetic relaxation of xenon‐131 dissolved in benzene. A study by molecular dynamics and Monte Carlo simulations

1993 ◽  
Vol 98 (2) ◽  
pp. 1566-1578 ◽  
Author(s):  
M. Luhmer ◽  
D. van Belle ◽  
J. Reisse ◽  
M. Odelius ◽  
J. Kowalewski ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Magnetic Relaxation
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