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Monte Carlo simulation of diffusion of adsorbed proteins
Author(s) -
Zhdanov V.P.,
Kasemo B.
Publication year - 2000
Publication title -
proteins: structure, function, and bioinformatics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.699
H-Index - 191
eISSN - 1097-0134
pISSN - 0887-3585
DOI - 10.1002/(sici)1097-0134(20000401)39:1<76::aid-prot8>3.0.co;2-u
Subject(s) - monte carlo method , thermodynamics , diffusion , arrhenius equation , statistical physics , kinetic monte carlo , effective diffusion coefficient , lattice (music) , materials science , chemistry , crystallography , physics , activation energy , mathematics , statistics , radiology , magnetic resonance imaging , acoustics , medicine
We present the results of three‐dimensional lattice Monte Carlo simulations of protein diffusion on the liquid‐solid interface in a wide temperature range including the most interesting temperatures (from slightly below T f and up to T c , where T f and T c are the folding and collapse temperatures). For the model under consideration (27 monomers of two types), the temperature dependence of the diffusion coefficient is found to obey the Arrhenius law with the normal value (≈10 −2 − 10 −3 cm 2 /s) of the preexponential factor. Proteins 2000;39:76–81. © 2000 Wiley‐Liss, Inc.