Brownian Dynamics Simulations of Proteins in the Presence of Surfaces: Long-Range Electrostatics and Mean-Field Hydrodynamics.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: electrostatics; hydrodynamics; presence surfaces; brownian dynamics ... See more keywords
Diffusiophoretic Brownian Dynamics: Characterization of Hydrodynamic Effects for an Active Chemoattractive Polymer
Sign Up to like & getrecommendations! Published in 2024 at "Macromolecules"
DOI: 10.1021/acs.macromol.4c00720
Abstract: The phoretic Brownian dynamics method is shown here to be an effective approach to simulate the properties of colloidal chemophoretic based systems. The method is then optimized to allow for the comparison with results from… read more here.
Keywords: diffusiophoretic brownian; brownian dynamics; phoretic brownian; explicit solvent ... See more keywords
Probing Photothermal Effects on Optically Trapped Gold Nanorods by Simultaneous Plasmon Spectroscopy and Brownian Dynamics Analysis.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: analysis; gold nanorods; brownian dynamics; spectroscopy ... See more keywords
Memory effects on two-dimensional overdamped Brownian dynamics
Sign Up to like & getrecommendations! 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… read more here.
Keywords: two dimensional; brownian dynamics; dimensional overdamped; effects two ... See more keywords
Brownian dynamics simulations of hard rods in external fields and with contact interactions.
Sign Up to like & getrecommendations! 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… read more here.
Keywords: dynamics simulations; brownian dynamics; rods external; external fields ... See more keywords
A novel hybrid population balance - Brownian dynamics method for simulating the dynamics of polymer-bridged colloidal latex particle suspensions
Sign Up to like & getrecommendations! 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… read more here.
Keywords: brownian dynamics; population balance; hybrid population; novel hybrid ... See more keywords
Investigating Intrinsically Disordered Proteins With Brownian Dynamics
Sign Up to like & getrecommendations! 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,… read more here.
Keywords: intrinsically disordered; brownian dynamics; disordered proteins; idps ... See more keywords
Large Scale Hydrodynamically Coupled Brownian Dynamics Simulations of Polymer Solutions Flowing through Porous Media
Sign Up to like & getrecommendations! 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… read more here.
Keywords: brownian dynamics; porous media; solutions flowing; large scale ... See more keywords