Folding of Globular Proteins by Energy Minimization and Monte Carlo Simulations with Hydrophobic Surface Area Potentials

1995 ◽  
Vol 1 (1) ◽  
pp. 1-10 ◽  
Author(s):  
Christian Mumenthaler ◽  
Werner Braun
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Area ◽  
Energy Minimization ◽  
Hydrophobic Surface ◽  
Globular Proteins

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.

scholarly journals Pore-filling contamination in metal–organic frameworks

2018 ◽  
Vol 20 (36) ◽  
pp. 23616-23624 ◽  
Author(s):  
Joseph Glover ◽  
Elena Besley
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Surface Area ◽  
Metal Organic Frameworks ◽  
Grand Canonical Monte Carlo ◽  
Pore Filling ◽  
Metal Organic ◽  
Grand Canonical

Grand canonical Monte Carlo simulations are used to assess how pore-filling contamination affects the surface area measurements in several MOFs.

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

MONTE CARLO SIMULATIONS OF ELECTRON DRIFT VELOCITIES IN THE NOBLE GASES AND THEIR MIXTURES

1979 ◽  
Vol 40 (C7) ◽  
pp. C7-63-C7-64
Author(s):  
A. J. Davies ◽  
J. Dutton ◽  
C. J. Evans ◽  
A. Goodings ◽  
P.K. Stewart
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Noble Gases ◽  
Electron Drift
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