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Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c01312
Abstract: Simulations of macromolecular diffusion and adsorption in confined environments can offer valuable mechanistic insights into numerous biophysical processes. In order to model solutes at atomic detail on relevant time scales, Brownian dynamics simulations can be…
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Keywords:
electrostatics;
hydrodynamics;
presence surfaces;
brownian dynamics ... See more keywords
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Published in 2017 at "ACS nano"
DOI: 10.1021/acsnano.7b04302
Abstract: Plasmonic gold nanorods are prime candidates for a variety of biomedical, spectroscopy, data storage, and sensing applications. It was recently shown that gold nanorods optically trapped by a focused circularly polarized laser beam can function…
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Keywords:
analysis;
gold nanorods;
brownian dynamics;
spectroscopy ... See more keywords
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Published in 2020 at "Journal of Physics A: Mathematical and Theoretical"
DOI: 10.1088/1751-8121/ab5e2b
Abstract: We consider the effects of memory on the stationary behavior of a two-dimensional Langevin dynamics in a confining potential. The system is treated in an overdamped approximation and the degrees of freedom are under the…
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Keywords:
two dimensional;
brownian dynamics;
dimensional overdamped;
effects two ... See more keywords
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Published in 2022 at "Physical review. E"
DOI: 10.1103/physreve.106.054606
Abstract: We propose a simulation method for Brownian dynamics of hard rods in one dimension for arbitrary continuous external force fields. It is an event-driven procedure based on the fragmentation and mergers of clusters formed by…
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Keywords:
dynamics simulations;
brownian dynamics;
rods external;
external fields ... See more keywords
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Published in 2018 at "Journal of Rheology"
DOI: 10.1122/1.4996064
Abstract: We developed a novel hybrid population balance-Brownian dynamics (Pop-BD) simulation technique to investigate the phase behavior and linear viscoelastic response of suspensions of colloids bridged reversibly by telechelic polymers such as latex particles bridged by…
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Keywords:
brownian dynamics;
population balance;
hybrid population;
novel hybrid ... See more keywords
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Published in 2022 at "Frontiers in Molecular Biosciences"
DOI: 10.3389/fmolb.2022.898838
Abstract: Intrinsically disordered proteins (IDPs) have recently become systems of great interest due to their involvement in modulating many biological processes and their aggregation being implicated in many diseases. Since IDPs do not have a stable,…
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Keywords:
intrinsically disordered;
brownian dynamics;
disordered proteins;
idps ... See more keywords
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Published in 2022 at "Polymers"
DOI: 10.3390/polym14071422
Abstract: Large scale simulations of polymer flow through porous media provide an important tool for solving problems in enhanced oil recovery, polymer processing and biological applications. In order to include the effects of a wide range…
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Keywords:
brownian dynamics;
porous media;
solutions flowing;
large scale ... See more keywords