Surface-induced conformational changes in lattice model proteins by Monte Carlo simulation

2002 ◽  
Vol 65 (3) ◽  
Author(s):  
Victoria Castells ◽  
Shaoxiong Yang ◽  
Paul R. Van Tassel
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Conformational Changes ◽  
Lattice Model

Monte Carlo simulation of a lattice model for micelle formation

1994 ◽  
Vol 101 (1) ◽  
pp. 645-650 ◽  
Author(s):  
Américo T. Bernardes ◽  
Vera B. Henriques ◽  
Paulo M. Bisch
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Lattice Model ◽  
Micelle Formation

scholarly journals LATTICE MODEL OF ADSORPTION OF MULTISITE TRIANGLES WITH ATTRACTIVE VERTEXES: PARAMETRIZATION FOR 1, 3, 5-TRIS(PYRIDYL)BENZENE AND CU ON OXIDATED TITANIUM CARBIDE SURFACE

2020 ◽  
Vol 7 (4) ◽  
pp. 004-011
Author(s):  
O. S. Solovyeva ◽  
◽  
V. A. Gorbunov ◽  
A. V. Myshlyavtsev ◽  
◽  
...  
Keyword(s):  
Phase Diagram ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Ground State ◽  
Lattice Model ◽  
Adsorption Layer ◽  
Ground State Phase Diagram ◽  
Component System ◽  
Simple Lattice ◽  
Metal Organic

In this paper, a simple lattice model of the metal-organic adsorption layer of 1,3,5- tris(pyridyl)benzene and copper on the surface of Ti2CO2 was proposed. In this model, the selfassembly of the organometallic layer is considered as a one-component system that implicitly includes metal adatoms. The ground state phase diagram is calculated. A Monte Carlo simulation is performed using the Metropolis algorithm and the parallel temperature technique. The isotherm of the metal-organic is calculated at T = 300 K. All the results indicate the possibility of the formation of stable metal-organic phases on the Ti2CO2 surface.

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