42 citations · 107 across the 7 of their papers we have counts for
8 papers
Affinity, Kinetics, and Pathways of Anisotropic Ligands Binding to Hydrophobic Model Pockets
R. Gregor Weiß, Richard Chudoba, Piotr Setny +1
Using explicit-water molecular dynamics (MD) simulations of a generic pocket-ligand model we investigate how chemical and shape anisotropy of small ligands influences the affinitie…
Tuning the Selective Permeability of Polydisperse Polymer Networks
Won Kyu Kim, Richard Chudoba, Sebastian Milster +3
We study the permeability and selectivity (`permselectivity') of model membranes made of polydisperse polymer networks for molecular penetrant transport, using coarse-grained, impl…
Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networks
Sebastian Milster, Richard Chudoba, Matej Kanduč +1
The selective solute partitioning within a polymeric network is of key importance to applications in which controlled release or uptake of solutes in a responsive hydrogel is requi…
Tuning the collapse transition of weakly charged polymers by ion-specific screening and adsorption
Richard Chudoba, Jan Heyda, Joachim Dzubiella
The experimentally observed swelling and collapse response of weakly charged polymers to the addition of specific salts displays quite convoluted behavior that is not easy to categ…
Molecular simulations of electrolyte structure and dynamics in lithium-sulfur battery solvents
Chanbum Park, Matej Kanduč, Richard Chudoba +4
The performance of modern lithium-sulfur (Li/S) battery systems critically depends on the electrolyte and solvent compositions. For fundamental molecular insights and rational guid…
A temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solution
Richard Chudoba, Jan Heyda, Joachim Dzubiella
A temperature (T)-dependent coarse-grained (CG) Hamiltonian of polyethylene glycol/oxide (PEG/PEO) in aqueous solution is reported to be used in implicit-solvent material models in…
Selective solute adsorption and partitioning around single PNIPAM chains
Matej Kanduc, Richard Chudoba, Karol Palczynski +3
Thermoresponsive polymer architectures have become integral building blocks of 'smart' functional materials in modern applications. For a large range of developments, e.g., for dru…
Tuning the critical solution temperature of polymers by copolymerization
Bernhard Schulz, Richard Chudoba, Jan Heyda +1
We study statistical copolymerization effects on the upper critical solution temperature (CST) of generic homopolymers by means of coarse-grained Langevin dynamics computer simulat…