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List of works by Joachim Dzubiella

"Martinizing" the Variational Implicit Solvent Method (VISM): Solvation Free Energy for Coarse-Grained Proteins

scientific article published on 14 June 2017

A temperature-dependent implicit-solvent model of polyethylene glycol in aqueous solution

scientific article published on 16 October 2017

Adsorption of proteins to functional polymeric nanoparticles

Affinity, kinetics, and pathways of anisotropic ligands binding to hydrophobic model pockets

scientific article published on 01 September 2018

An instant multi-responsive porous polymer actuator driven by solvent molecule sorption

scientific article published in July 2014

Angle-resolved effective potentials for disk-shaped molecules ⬇️

scientific article published on December 2014

Application of the level-set method to the implicit solvation of nonpolar molecules

scientific article published in August 2007

Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes

scientific article published on 01 October 2019

Beyond the Hofmeister Series: Ion-Specific Effects on Proteins and Their Biological Functions

scientific article published on 17 January 2017

Catalysis by Metallic Nanoparticles in Solution: Thermosensitive Microgels as Nanoreactors

scientific article published in 2018

Catalysis by metallic nanoparticles in aqueous solution: model reactions

scientific article published on 30 May 2012

Catalyzed Bimolecular Reactions in Responsive Nanoreactors

scientific article published on 17 July 2017

Characterization of step-edge barrier crossing of para-sexiphenyl on the ZnO (101[combining macron]0) surface

scientific article published in September 2016

Charge and hydration structure of dendritic polyelectrolytes: molecular simulations of polyglycerol sulphate.

scientific article published in May 2018

Charged Dendrimers Revisited: Effective Charge and Surface Potential of Dendritic Polyglycerol Sulfate

scientific article from 2017

Charged patchy particle models in explicit salt: Ion distributions, electrostatic potentials, and effective interactions

scientific article published on 01 August 2015

Chasing Aqueous Biphasic Systems from Simple Salts by Exploring the LiTFSI/LiCl/HO Phase Diagram

scientific article published on 12 March 2019

Chasing Aqueous Biphasic Systems from simple salts by exploring the LiTFSI/LiCl/H2O phase diagram

Coarse-grained electrostatic interactions of coronene: Towards the crystalline phase ⬇️

scientific article published in November 2015

Colloidal Plastic Crystals in a Shear Field.

scientific article

Communication: Resonance reaction in diffusion-influenced bimolecular reactions ⬇️

scientific article published in February 2016

Competitive protein adsorption to soft polymeric layers: binary mixtures and comparison to theory

scientific article published on 30 January 2015

Competitive sorption of monovalent and divalent ions by highly charged globular macromolecules

scientific article published on 01 July 2020

Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method.

scientific article

Confined Water Determines Transport Properties of Guest Molecules in Narrow Pores

scientific article

Controlling the Microstructure and Phase Behavior of Confined Soft Colloids by Active Interaction Switching

scientific article published on 01 August 2020

Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations

scientific article published on 21 February 2020

Correlation Length in Concentrated Electrolytes: Insights from All-Atom Molecular Dynamics Simulations

Cosolute Partitioning in Polymer Networks: Effects of Flexibility and Volume Transitions

Counterion-Release Entropy Governs the Inhibition of Serum Proteins by Polyelectrolyte Drugs

scientific article published on 21 December 2017

Coupling the Level-Set Method with Molecular Mechanics for Variational Implicit Solvation of Nonpolar Molecules

scientific article published on February 2009

Cross-linker effect on solute adsorption in swollen thermoresponsive polymer networks

scientific article published on 01 March 2019

Curvature dependence of hydrophobic hydration dynamics ⬇️

scientific article published on 05 May 2015

Determining the specificity of monoclonal antibody HPT-101 to tau-peptides with optical tweezers

Drastic Swelling of Lipid Oligobilayers by Polyelectrolytes: A Potential Molecular Model for the Internal Structure of Lubricating Films in Mammalian Joints.

scientific article

Dynamic density functional theory of protein adsorption on polymer-coated nanoparticles

scientific article published on October 2014

Effects of Hofmeister ions on the α-helical structure of proteins.

scientific article published on 21 February 2012

Effects of oxidative adsorbates and cluster formation on the electronic structure of nanodiamonds

scientific article published on 24 March 2022

Electrolytes in a nanometer slab-confinement: Ion-specific structure and solvation forces ⬇️

scientific article published on October 28, 2010

Electrostatic free energy and its variations in implicit solvent models

scientific article published on 15 February 2008

Electrostatics control actin filament nucleation and elongation kinetics.

scientific article published on 13 March 2013

Evaluation of Hydration Free Energy by Level-Set Variational Implicit-Solvent Model with Coulomb-Field Approximation

scientific article published on 29 January 2013

Explicit and implicit modeling of nanobubbles in hydrophobic confinement

scientific article published on 01 March 2010

Fine-Tuning the Structure of Stimuli-Responsive Polymer Films by Hydrostatic Pressure and Temperature

Functional Importance of Short-Range Binding and Long-Range Solvent Interactions in Helical Antifreeze Peptides ⬇️

scientific article published on July 17, 2012

Guanidinium can both Cause and Prevent the Hydrophobic Collapse of Biomacromolecules

scientific article

Heterogeneous Hydration of p53/MDM2 Complex

scientific article published on 31 January 2014

How the Shape and Chemistry of Molecular Penetrants Control Responsive Hydrogel Permeability

scientific article published on 31 December 2020

Interaction of Charged Patchy Protein Models with Like-Charged Polyelectrolyte Brushes. ⬇️

scientific article published on 16 December 2016

Interaction of Proteins with Polyelectrolytes: Comparison of Theory to Experiment

scientific article published on 24 August 2018

Interaction of human serum albumin with dendritic polyglycerol sulfate: Rationalizing the thermodynamics of binding

scientific article published on 01 October 2018

Interaction of human serum albumin with short polyelectrolytes: a study by calorimetry and computer simulations ⬇️

scientific article published on June 2015

Interface dynamics of microscopic cavities in water

scientific article published in May 2007

Interfaces and hydrophobic interactions in receptor-ligand systems: A level-set variational implicit solvent approach

scientific article published on October 2009

Ion Specificity in α-Helical Folding Kinetics ⬇️

scientific article published on 01 November 2010

Ion specificity at the peptide bond: molecular dynamics simulations of N-methylacetamide in aqueous salt solutions

scientific article published in January 2010

Ion-Specific Adsorption on Bare Gold (Au) Nanoparticles in Aqueous Solutions: Double-Layer Structure and Surface Potentials

scientific article published on 03 November 2020

Ion-specific excluded-volume correlations and solvation forces

scientific article published on 5 March 2010

Ion-specific thermodynamics of multicomponent electrolytes: a hybrid HNC/MD approach

scientific article published in October 2009

Ionic force field optimization based on single-ion and ion-pair solvation properties.

scientific article published in January 2010

Ionic structure around polarizable metal nanoparticles in aqueous electrolytes.

scientific article published on 19 April 2018

LS-VISM: A software package for analysis of biomolecular solvation

scientific article published on 12 March 2015

Level-Set Variational Implicit-Solvent Modeling of Biomolecules with the Coulomb-Field Approximation

scientific article published on 19 December 2011

Like-charged protein-polyelectrolyte complexation driven by charge patches

scientific article published in August 2015

Molecular insights into the ion-specific kinetics of anionic peptides

scientific article published on 01 May 2010

NaCl crystallization in apolar nanometer-sized confinement studied by atomistic simulations

scientific article published on 26 December 2013

Nonequilibrium Uptake Kinetics of Molecular Cargo into Hollow Hydrogels Tuned by Electrosteric Interactions

scientific article published on 24 January 2019

Nonequilibrium pattern formation in strongly interacting driven colloids

scientific article published on 01 January 2003

Nonequilibrium sedimentation of colloids on the particle scale.

scientific article published on 3 May 2007

Nonequilibrium structure of colloidal dumbbells under oscillatory shear ⬇️

scientific article published on 20 November 2015

Peptide chain dynamics in light and heavy water: zooming in on internal friction

scientific article published on 27 March 2012

Potential of mean force and transient states in polyelectrolyte pair complexation.

scientific article published in July 2016

Principles for Tuning Hydrophobic Ligand-Receptor Binding Kinetics.

scientific article

Product interactions and feedback in diffusion-controlled reactions.

scientific article published in February 2018

Protein Sorption to Charged Microgels: Characterizing Binding Isotherms and Driving Forces ⬇️

scientific article published on October 9, 2012

Protein binding to soft polymeric layers: a quantitative study by fluorescence spectroscopy

Protein interactions with polymer coatings and biomaterials

scientific article

Quantifying entropic barriers in single-molecule surface diffusion

scientific article published on 01 October 2020

Rationalizing Polymer Swelling and Collapse under Attractive Cosolvent Conditions

Reaction rate of a composite core-shell nanoreactor with multiple nanocatalysts. ⬇️

scientific article

Salt-specific stability and denaturation of a short salt-bridge-forming alpha-helix

scientific article published on 27 September 2008

Salt-specific stability of short and charged alanine-based alpha-helices

scientific article published in December 2009

Selective Molecular Transport in Thermoresponsive Polymer Membranes: Role of Nanoscale Hydration and Fluctuations

Selective solute adsorption and partitioning around single PNIPAM chains ⬇️

scientific article published on 8 February 2017

Sensing Solvents with Ultrasensitive Porous Poly(ionic liquid) Actuators

scientific article published on 31 March 2015

Sequence-specific size, structure, and stability of tight protein knots

scientific article published on February 2009

Solvent Fluctuations Induce Non-Markovian Kinetics in Hydrophobic Pocket-Ligand Binding

scientific article published on 23 March 2016

Solvent fluctuations in hydrophobic cavity-ligand binding kinetics

scientific article

Sorption and Spatial Distribution of Protein Globules in Charged Hydrogel Particles. ⬇️

scientific article published on 21 April 2017

Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations

scientific article published on August 2016

Structure and position-dependent properties of inhomogeneous suspensions of responsive colloids

scientific article published on 01 October 2020

Structure-thermodynamics relation of electrolyte solutions

scientific article published on 01 April 2009

Swelling of ionic microgel particles in the presence of excluded-volume interactions: a density functional approach

scientific article published on 28 January 2016

Synthesis and characterization of monodisperse thermosensitive dumbbell-shaped microgels

scientific article published on 12 April 2012

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

scientific article published on 12 February 2018

Theory of Solvation-Controlled Reactions in Stimuli-Responsive Nanoreactors ⬇️

Thermal compaction of disordered and elastin-like polypeptides: a temperature-dependent, sequence-specific coarse-grained simulation model

scientific article published on 21 July 2020

Thermodynamic Description of the LCST of Charged Thermoresponsive Copolymers

Thermodynamic description of Hofmeister effects on the LCST of thermosensitive polymers

scientific article published on 5 September 2014

Thermodynamics of the Binding of Lysozyme to a Dendritic Polyelectrolyte: Electrostatics Versus Hydration

scientific article published on 14 August 2018

Thermosensitive Au-PNIPA Yolk-Shell Nanoparticles with Tunable Selectivity for Catalysis

scholarly article by Shuang Wu et al published 23 January 2012 in Angewandte Chemie International Edition

Thermosensitive Cu2O–PNIPAM core–shell nanoreactors with tunable photocatalytic activity

scholarly article by He Jia et al published 2016 in Journal of Materials Chemistry A

Tightening and Untying the Knot in Human Carbonic Anhydrase III.

scientific article published on 17 May 2013

Tightening the knot in phytochrome by single-molecule atomic force microscopy

scientific article published on February 2009

Transfer Free Energies and Partitioning of Small Molecules in Collapsed PNIPAM Polymers

scientific article published on 09 January 2019

Tuning the Collapse Transition of Weakly Charged Polymers by Ion-Specific Screening and Adsorption

Tuning the Permeability of Dense Membranes by Shaping Nanoscale Potentials

scientific article published on 01 March 2019

Tuning the collapse transition of weakly charged polymers by ion-specific screening and adsorption

scientific article published on 01 December 2018

Tuning the critical solution temperature of polymers by copolymerization. ⬇️

scientific article published in December 2015

Tuning the selective permeability of polydisperse polymer networks

scientific article published on 01 September 2020

Variational Implicit Solvation with Poisson-Boltzmann Theory

scientific article published on 21 February 2014

Variational Implicit-Solvent Modeling of Host-Guest Binding: A Case Study on Cucurbit[7]uril|

scientific article published on August 2013

Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kinetics

scientific article published on 03 July 2019

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