Monte Carlo studies of the thermodynamics and kinetics of reduced protein models: Application to small helical, β, and α/β proteins

1998 ◽  
Vol 108 (6) ◽  
pp. 2608-2617 ◽  
Author(s):  
Andrzej Kolinski ◽  
Wojciech Galazka ◽  
Jeffrey Skolnick
Keyword(s):  
Monte Carlo ◽  
Thermodynamics And Kinetics ◽  
Monte Carlo Studies ◽  
Protein Models ◽  
Kinetics Of

Monte carlo studies on equilibrium globular protein folding. II. ?-barrel globular protein models

Biopolymers ◽  
1989 ◽  
Vol 28 (6) ◽  
pp. 1059-1095 ◽  
Author(s):  
Jeffrey Skolnick ◽  
Andrzej Kolinski ◽  
Robert Yaris
Keyword(s):  
Monte Carlo ◽  
Protein Folding ◽  
Globular Protein ◽  
Monte Carlo Studies ◽  
Protein Models

Monte Carlo Simulations of Growth Kinetics and Phase Transitions at Interfaces: Some Recent Results

1991 ◽  
Vol 237 ◽  
Author(s):  
P. Nielaba ◽  
K. Binder
Keyword(s):  
Monte Carlo ◽  
Phase Transitions ◽  
Fluid Layer ◽  
Finite Size ◽  
Critical Temperatures ◽  
Infinite Layer ◽  
Limit Value ◽  
Monte Carlo Studies ◽  
Coexistence Densities ◽  
Kinetics Of

ABSTRACTIn the first part Monte Carlo studies of the kinetics of multilayer adsorption (without screening) are described. The approach to the jamming coverage in each layer is asymptotically exponential. The jamming coverages approach the infinite-layer limit value according to a power law. In the second part, studies of phase transitions in two dimensional fluids are reviewed. With a combination of Monte Carlo and finite size scaling block analysis techniques, accurate values are obtained for the critical temperatures, coexistence densities and the compressibilities of an adsorbed fluid layer in an NVT ensemble.

Thermodynamics and kinetics of carbon deposits on cobalt: a combined density functional theory and kinetic Monte Carlo study

2016 ◽  
Vol 18 (41) ◽  
pp. 28515-28523 ◽  
Author(s):  
Antonius P. J. Jansen ◽  
Ravi Agrawal ◽  
Leonardo Spanu
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
Surface Diffusion ◽  
Density Functional ◽  
Carbon Deposition ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Study ◽  
Functional Theory ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

We have studied the thermodynamics and kinetics of carbon deposition on a cobalt surface. Our results clearly show that the competition between fast subsurface diffusion and slower surface diffusion controls the kinetics of carbon deposit formation.

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