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Monte Carlo simulation

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Full-Text Articles in Physics

Pinning The Conformation Of A Protein (Cora) In A Solute Matrix With Selective Binding, Warin Rangubpit, Sunan Kitjaruwankul, Pornthep Sompornpisut, R. B. Pandey Oct 2020

Pinning The Conformation Of A Protein (Cora) In A Solute Matrix With Selective Binding, Warin Rangubpit, Sunan Kitjaruwankul, Pornthep Sompornpisut, R. B. Pandey

Faculty Publications

Conformation of a protein (CorA) is examined in a matrix with mobile solute constituents as a function of solute–residue interaction strength (f) by a coarse-grained model with a Monte Carlo simulation. Solute particles are found to reach their targeted residue due to their unique interactions with the residues. Degree of slowing down of the protein depends on the interaction strength f. Unlike a predictable dependence of the radius of gyration of the same protein on interaction in an effective medium, it does not show a systematic dependence on interaction due to pinning caused by the solute binding. …


Density Profile And Flow Of Miscible Fluid With Dissimilar Constituent Masses, Ras B. Pandey, D. Stauffer, R. Seyfarth, Luis A. Cueva, J.F. Gettrust, Warren Wood Jul 2002

Density Profile And Flow Of Miscible Fluid With Dissimilar Constituent Masses, Ras B. Pandey, D. Stauffer, R. Seyfarth, Luis A. Cueva, J.F. Gettrust, Warren Wood

Faculty Publications

A computer simulation model is used to study the density profile and flow of a miscible gaseous fluid mixture consisting of differing constituent masses (m(A) = m(B)/3) through an open matrix. The density profile is found to decay with the height proportional to exp(-m(A(B))h), consistent with the barometric height law. The flux density shows a power-law increase proportional to (p(c) - p)(a) with mu similar or equal to 2.3 at the porosity 1 - p above the pore percolation threshold 1 - p(c). (C) 2002 Elsevier Science B.V. All rights reserved.