scholarly journals Conformational changes of globular proteins upon adsorption on a hydrophobic surface

2014 ◽  
Vol 16 (23) ◽  
pp. 11698-11707 ◽  
Author(s):  
Yevgeny Moskovitz ◽  
Simcha Srebnik
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Conformational Changes ◽  
Thermal Denaturation ◽  
Hydrophobic Surface ◽  
Globular Proteins ◽  
Coarse Grained ◽  
Adsorbed Protein

Coarse-grained Monte Carlo simulations are used to study thermal denaturation of small globular proteins adsorbed on a hydrophobic surface. Though helices are more stable than sheets, they are highly deformed in the adsorbed protein.

Coarse Grained End Bridging Monte Carlo Simulations of Poly(ethylene terephthalate) Melt

2007 ◽  
Vol 40 (3) ◽  
pp. 710-722 ◽  
Author(s):  
Kazunori Kamio ◽  
Krzysztof Moorthi ◽  
Doros N. Theodorou
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ethylene Terephthalate ◽  
Coarse Grained ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

The structure of polymer brushes near the transition from dilute to dense systems. A computer simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Simulation Study ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Coarse Grained Model ◽  
Cooperative Motion

Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed in order and the Cooperative Motion Algorithm was employed to...

Conformational Changes and Dynamics during Adsorption of Macromolecules with Different Degree of Polymerization Studied by Monte Carlo Simulations

2018 ◽  
Vol 27 (4) ◽  
pp. 1800012 ◽  
Author(s):  
Roser Sabater i Serra ◽  
Constantino Torregrosa Cabanilles ◽  
José María Meseguer Dueñas ◽  
José Luis Gómez Ribelles ◽  
José Molina-Mateo
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Conformational Changes ◽  
Degree Of Polymerization

Supramolecular assembly of a biomineralizing antimicrobial peptide in coarse-grained Monte Carlo simulations

2011 ◽  
Vol 13 (3) ◽  
pp. 1123-1130 ◽  
Author(s):  
D. Matthew Eby ◽  
Glenn R. Johnson ◽  
Barry L. Farmer ◽  
Ras B. Pandey
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Antimicrobial Peptide ◽  
Supramolecular Assembly ◽  
Coarse Grained

Spatially adaptive lattice coarse-grained Monte Carlo simulations for diffusion of interacting molecules

2004 ◽  
Vol 121 (22) ◽  
pp. 11420 ◽  
Author(s):  
Abhijit Chatterjee ◽  
Dionisios G. Vlachos ◽  
Markos A. Katsoulakis
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Coarse Grained ◽  
Spatially Adaptive
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