Search Results - "Dzubiella, J."

How the diffusivity profile reduces the arbitrariness of protein folding free energies by Hinczewski, M, von Hansen, Y, Dzubiella, J, Netz, R R

“…The concept of a protein diffusing in its free-energy folding landscape has been fruitful for both theory and experiment. Yet the choice of the reaction…”
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Coupling hydrophobicity, dispersion, and electrostatics in continuum solvent models by Dzubiella, J, Swanson, J M J, McCammon, J A

“…An implicit solvent model is presented that couples hydrophobic, dispersion, and electrostatic solvation energies by minimizing the system Gibbs free energy…”
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Lane formation in colloidal mixtures driven by an external field by Dzubiella, J, Hoffmann, G P, Löwen, H

“…The influence of an external field on a binary colloidal mixture performing Brownian dynamics in a solvent is investigated by nonequilibrium computer…”
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Electric field-controlled water permeation coupled to ion transport through a nanopore by Dzubiella, J, Allen, R J, Hansen, J-P

“…We report molecular dynamics simulations of a generic hydrophobic nanopore connecting two reservoirs which are initially at different Na(+) concentrations, as…”
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Coupling nonpolar and polar solvation free energies in implicit solvent models by Dzubiella, J, Swanson, J M J, McCammon, J A

“…Recent studies on the solvation of atomistic and nanoscale solutes indicate that a strong coupling exists between the hydrophobic, dispersion, and…”
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Dewetting-controlled binding of ligands to hydrophobic pockets by Setny, P, Wang, Z, Cheng, L-T, Li, B, McCammon, J A, Dzubiella, J

“…We report on a combined atomistic molecular dynamics simulation and implicit solvent analysis of a generic hydrophobic pocket-ligand (host-guest) system. The…”
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Depletion forces in nonequilibrium by Dzubiella, J, Löwen, H, Likos, C N

“…The concept of effective depletion forces between two fixed big colloidal particles in a bath of small particles is generalized to a nonequilibrium situation…”
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Dynamic density functional study of a driven colloidal particle in polymer solutions by Penna, F, Dzubiella, J, Tarazona, P

“…The dynamic density functional (DDF) theory and standard Brownian dynamics simulations (BDS) are used to study the drifting effects of a colloidal particle in…”
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Substrate concentration dependence of the diffusion-controlled steady-state rate constant by Dzubiella, J, McCammon, J A

“…The Smoluchowski approach to diffusion-controlled reactions is generalized to interacting substrate particles by including the osmotic pressure and…”
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Dynamical instability in driven colloids by Chakrabarti, J, Dzubiella, J, Löwen, H

“…Brownian-dynamics computer simulations show a dynamical crossover in a strongly interacting colloidal suspension consisting of oppositely driven particles,…”
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Polyelectrolyte−Colloid Complexes:  Polarizability and Effective Interaction by Dzubiella, J, Moreira, A. G, Pincus, P. A

“…We theoretically study the polarizability and the interactions of neutral complexes consisting of a semiflexible polyelectrolyte adsorbed onto an oppositely…”
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Ultrasoft colloids in cavities of oscillating size or sharpness by Rex, M., Likos, C. N., LÖwen, H., Dzubiella, J.

“…We employ dynamical density functional theory (DDFT) and Brownian Dynamics (BD) simulations to examine the fully developed dynamics of ultrasoft colloids…”
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Density-Functional Study of Interfacial Properties of Colloid−Polymer Mixtures by Moncho-Jordá, A., Dzubiella, J., Hansen, J. P., Louis, A. A.

“…Interfacial properties of colloid−polymer mixtures are examined within an effective one-component representation, where the polymer degrees of freedom are…”
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Reentrance effect in the lane formation of driven colloids by Chakrabarti, J, Dzubiella, J, Löwen, H

“…Recently it has been shown that a strongly interacting colloidal mixture consisting of oppositely driven particles undergoes a nonequilibrium transition…”
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Density functional theory for responsive hard-sphere fluids by López-Molina, J., Tirado-Miranda, M., Dzubiella, J., Moncho-Jordá, A.

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Interactions and phase transitions of colloidal dispersions in bulk and at interfaces by Löwen, H., Allahyarov, E., Dzubiella, J., Ferber, C. V., Jusufi, A., Likos, C. N., Heni, M.

“…Recent progress in the theory and computer simulation of effective interactions and phase transitions of colloidal dispersions is reviewed. Particular emphasis…”
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Partial structure factors in star polymer/colloid mixtures by Stellbrink, J., Allgaier, J., Richter, D., Moussaid, A., Schofield, A.B., Poon, W.C.K., Pusey, P.N., Lindner, P., Dzubiella, J., Likos, C.N., L wen, H.

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Bulk and interfacial properties in colloid-polymer mixtures by Vink, R L C, Jusufi, A, Dzubiella, J, Likos, C N

“…Large-scale Monte Carlo simulations of a phase-separating colloid-polymer mixture are performed and compared to recent experiments. The approach is based on…”
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Phase separation in star-polymer-colloid mixtures by Dzubiella, J, Jusufi, A, Likos, C N, von Ferber, C, Löwen, H, Stellbrink, J, Allgaier, J, Richter, D, Schofield, A B, Smith, P A, Poon, W C, Pusey, P N

“…We examine the demixing transition in star-polymer-colloid mixtures for star arm numbers f=2,6,16,32 and different star-polymer-colloid size ratios 0.18< or…”
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Sedimentation profiles of systems with reentrant melting behavior by Dzubiella, J, Harreis, H M, Likos, C N, Löwen, H

“…We examine sedimentation density profiles of star polymer solutions as an example of colloidal systems in sedimentation equilibrium that exhibit reentrant…”
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