Nico van der Vegt

Professor

Technische Universität Darmstadt

Germany

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Professor Nico van der Vegt is a faculty member at Technische Universität Darmstadt, Germany. His research interests focus on molecular dynamics simulations, hydrophobic interactions, and the solvation behavior of polymers. Recent articles include studies on friction modeling, pH-sensitive polymer collapse, and interactions in solvent mixtures.

Articles (21)

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2022

Collaborators (3)

Emanuel Schneck

Technische Universität Darmstadt

GERMANY

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Jan Heyda

University of Chemistry and Technology

CZECH REPUBLIC

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Paul S. Cremer

Pennsylvania State University

UNITED STATES

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Nico van der Vegt

Research Interests

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Articles (21)

Matching correlations matters: Modeling friction in a hydrophobic folding transition

Buffer-Specific Interactions of Imidazolium with Elastin-Like Polypeptides

Determination of aqueous solubility of NaCl in molecular dynamics simulation using the Kirkwood–Buff method

Cross-correlations in the fluctuation–dissipation relation influence barrier-crossing dynamics

A generic model for pH-sensitive collapse of hydrophobic polymers

Anion Competition at Positively Charged Surfactant Monolayers

A Gauss–Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations

Transferable local density-dependent friction in tert-butanol/water mixtures

Interactions of adsorbing cosolutes with hydrophobic hydration shells

Dynamical coarse-grained models of molecular liquids and their ideal and non-ideal mixtures

Bottom-Up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models with Accurate Dynamics

Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA

Solvation Behavior of Elastin-like Polypeptides in Divalent Metal Salt Solutions

Anions and Cations Affect Amino Acid Dissociation Equilibria via Distinct Mechanisms

A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions

Influence of TMAO and Pressure on the Folding Equilibrium of TrpCage

Cosolvent Exclusion Drives Protein Stability in Trimethylamine N-Oxide and Betaine Solutions

Cross-correlation corrected friction in generalized Langevin models: Application to the continuous Asakura–Oosawa model

Temperature induced change of TMAO effects on hydrophobic hydration

Solvation shell thermodynamics of extended hydrophobic solutes in mixed solvents

Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data

Collaborators (3)

Emanuel Schneck

Jan Heyda

Paul S. Cremer

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