Nico F A van der Vegt

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 48

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

The journal of physical chemistry letters

The Journal of chemical physics

Technische Universität Darmstadt

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Technische Universität Darmstadt

Germany

Professor :: Chemistry

Publications

Laura Mortara, Tetiana Mukhina, Hernan Chaimovich, Gerald Brezesinski, Nico F A van der Vegt, Emanuel Schneck
Anion Competition at Positively Charged Surfactant Monolayers. Langmuir : the ACS journal of surfaces and colloids 40 (13) (2024)
Laura Mortara, Tetiana Mukhina, Hernan Chaimovich, Gerald Brezesinski, Nico F A van der Vegt, Emanuel Schneck
Anion Competition at Positively Charged Surfactant Monolayers. Langmuir : the ACS journal of surfaces and colloids (2024)
Viktor Klippenstein, Nico F A van der Vegt
Bottom-Up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models with Accurate Dynamics. Journal of chemical theory and computation 19 (4) (2023)
Viktor Klippenstein, Nico F A van der Vegt
Bottom-Up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models with Accurate Dynamics. Journal of chemical theory and computation 19 (4) (2023)
Varun Mandalaparthy, Madhusmita Tripathy, Nico F A van der Vegt
Anions and Cations Affect Amino Acid Dissociation Equilibria via Distinct Mechanisms. The journal of physical chemistry letters (2023)
Yani Zhao, Swaminath Bharadwaj, Ryan L Myers, Halil Ibrahim Okur, Pho T Bui, Mengrui Cao, Lauren K Welsh, Tinglu Yang, Paul S Cremer, Nico F A van der Vegt
Solvation Behavior of Elastin-like Polypeptides in Divalent Metal Salt Solutions. The journal of physical chemistry letters (2023)
Viktor Klippenstein, Nico F A van der Vegt
Bottom-Up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models with Accurate Dynamics. Journal of chemical theory and computation (2023)
Viktor Klippenstein, Nico F A van der Vegt
Bottom-Up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models with Accurate Dynamics. Journal of chemical theory and computation 19 (4) (2023)
Marvin P Bernhardt, Martin Hanke, Nico F A van der Vegt
Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA. Journal of chemical theory and computation (2023)
Marvin P Bernhardt, Martin Hanke, Nico F A van der Vegt
Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA. Journal of chemical theory and computation (2023)
Marvin P Bernhardt, Martin Hanke, Nico F A van der Vegt
Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA. Journal of chemical theory and computation (2023)
Swaminath Bharadwaj, Bart-Jan Niebuur, Katja Nothdurft, Walter Richtering, Nico F A van der Vegt, Christine M Papadakis
Cononsolvency of thermoresponsive polymers: where we are now and where we are going. Soft matter 18 (15) (2022)
Angelina Folberth, Nico F A van der Vegt
A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions. The Journal of chemical physics 157 (20) (2022)
Angelina Folberth, Nico F A van der Vegt
Influence of TMAO and Pressure on the Folding Equilibrium of TrpCage. The journal of physical chemistry. B 126 (42) (2022)
Pritam Ganguly, Dominik Bubák, Jakub Polák, Patrik Fagan, Martin Dračínský, Nico F A van der Vegt, Jan Heyda, Joan-Emma Shea
Cosolvent Exclusion Drives Protein Stability in Trimethylamine N -Oxide and Betaine Solutions. The journal of physical chemistry letters 13 (34) (2022)
Yani Zhao, Swaminath Bharadwaj, Nico F A van der Vegt
Nonadditive ion effects on the coil-globule equilibrium of PNIPAM: a computer simulation study. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Marvin P Bernhardt, Yuki Nagata, Nico F A van der Vegt
Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion-Water Pair Potentials Based on Ab Initio Molecular Dynamics Data. The journal of physical chemistry letters 13 (16) (2022)
Angelina Folberth, Nico F A van der Vegt
Temperature induced change of TMAO effects on hydrophobic hydration. The Journal of chemical physics 156 (18) (2022)
Angelina Folberth, Swaminath Bharadwaj, Nico F A van der Vegt
Small-to-large length scale transition of TMAO interaction with hydrophobic solutes. Physical chemistry chemical physics : PCCP 24 (4) (2022)
Ellen E Bruce, Pho T Bui, Mengrui Cao, Paul S Cremer, Nico F A van der Vegt
Contact Ion Pairs in the Bulk Affect Anion Interactions with Poly(N-isopropylacrylamide). The journal of physical chemistry. B 125 (2) (2021)
Swaminath Bharadwaj, Shadrack Jabes B, Nico F A van der Vegt
Direct Calculation of Entropic Components in Cohesive Interaction Free Energies. The journal of physical chemistry. B 125 (39) (2021)
Sebastian Kloth, Marvin P Bernhardt, Nico F A van der Vegt, Michael Vogel
Coarse-grained model of a nanoscale-segregated ionic liquid for simulations of low-temperature structure and dynamics. Journal of physics. Condensed matter : an Institute of Physics journal 33 (20) (2021)
Ellen E Bruce, Pho T Bui, Bradley A Rogers, Paul S Cremer, Nico F A van der Vegt
Addition to "Nonadditive Ion Effects Drive Both Collapse and Swelling of Thermoresponsive Polymers in Water". Journal of the American Chemical Society 143 (5) (2021)
Nico F A van der Vegt
Length-Scale Effects in Hydrophobic Polymer Collapse Transitions. The journal of physical chemistry. B 125 (20) (2021)
Viktor Klippenstein, Madhusmita Tripathy, Gerhard Jung, Friederike Schmid, Nico F A van der Vegt
Introducing Memory in Coarse-Grained Molecular Simulations. The journal of physical chemistry. B 125 (19) (2021)
Madhusmita Tripathy, Swaminath Bharadwaj, Shadrack Jabes B, Nico F A van der Vegt
Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method. Nanomaterials (Basel, Switzerland) 10 (8) (2020)
Swaminath Bharadwaj, Divya Nayar, Cahit Dalgicdir, Nico F A van der Vegt
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents. Communications chemistry 3 (1) (2020)
Swaminath Bharadwaj, Divya Nayar, Cahit Dalgicdir, Nico F A van der Vegt
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents. Communications chemistry 3 (1) (2020)
Pritam Ganguly, Jakub Polák, Nico F A van der Vegt, Jan Heyda, Joan-Emma Shea
Protein Stability in TMAO and Mixed Urea-TMAO Solutions. The journal of physical chemistry. B 124 (29) (2020)
Angelina Folberth, Jakub Polák, Jan Heyda, Nico F A van der Vegt
Pressure, Peptides, and a Piezolyte: Structural Analysis of the Effects of Pressure and Trimethylamine-N-oxide on the Peptide Solvation Shell. The journal of physical chemistry. B 124 (30) (2020)
Ellen E Bruce, Halil Ibrahim Okur, Sina Stegmaier, Chad I Drexler, Bradley A Rogers, Nico F A van der Vegt, Sylvie Roke, Paul S Cremer
Molecular Mechanism for the Interactions of Hofmeister Cations with Macromolecules in Aqueous Solution. Journal of the American Chemical Society 142 (45) (2020)
Gregor Deichmann, Nico F A van der Vegt
Conditional Reversible Work Coarse-Grained Models with Explicit Electrostatics-An Application to Butylmethylimidazolium Ionic Liquids. Journal of chemical theory and computation 15 (2) (2019)
David Rosenberger, Tanmoy Sanyal, M Scott Shell, Nico F A van der Vegt
Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures. Journal of chemical theory and computation 15 (5) (2019)
Ellen E Bruce, Nico F A van der Vegt
Molecular Scale Solvation in Complex Solutions. Journal of the American Chemical Society 141 (33) (2019)
Cahit Dalgicdir, Nico F A van der Vegt
Improved Temperature Behavior of PNIPAM in Water with a Modified OPLS Model. The journal of physical chemistry. B 123 (17) (2019)
Gregor Deichmann, Marco Dallavalle, David Rosenberger, Nico F A van der Vegt
Phase Equilibria Modeling with Systematically Coarse-Grained Models-A Comparative Study on State Point Transferability. The journal of physical chemistry. B 123 (2) (2019)
Ellen E Bruce, Pho T Bui, Bradley A Rogers, Paul S Cremer, Nico F A van der Vegt
Nonadditive Ion Effects Drive Both Collapse and Swelling of Thermoresponsive Polymers in Water. Journal of the American Chemical Society 141 (16) (2019)
Gregor Deichmann, Nico F A van der Vegt
Bottom-up approach to represent dynamic properties in coarse-grained molecular simulations. The Journal of chemical physics 149 (24) (2019)
Cahit Dalgicdir, Francisco Rodríguez-Ropero, Nico F A van der Vegt
Correction to "Computational Calorimetry of PNIPAM Cononsolvency in Water/Methanol Mixtures". The journal of physical chemistry. B 123 (4) (2019)
Divya Nayar, Nico F A van der Vegt
Cosolvent Effects on Polymer Hydration Drive Hydrophobic Collapse. The journal of physical chemistry. B 122 (13) (2018)
Ioana M Ilie, Divya Nayar, Wouter K den Otter, Nico F A van der Vegt, Wim J Briels
Intrinsic Conformational Preferences and Interactions in α-Synuclein Fibrils: Insights from Molecular Dynamics Simulations. Journal of chemical theory and computation 14 (6) (2018)
Tobias Pfeiffer, Antonio De Nicola, Costanza Montis, Francesco Carlà, Nico F A van der Vegt, Debora Berti, Giuseppe Milano
Nanoparticles at Biomimetic Interfaces: Combined Experimental and Simulation Study on Charged Gold Nanoparticles/Lipid Bilayer Interfaces. The journal of physical chemistry letters 10 (2) (2018)
Marco Dallavalle, Nico F A van der Vegt
Evaluation of mapping schemes for systematic coarse graining of higher alkanes. Physical chemistry chemical physics : PCCP 19 (34) (2018)
Jasmin Milzetti, Divya Nayar, Nico F A van der Vegt
Convergence of Kirkwood-Buff Integrals of Ideal and Nonideal Aqueous Solutions Using Molecular Dynamics Simulations. The journal of physical chemistry. B 122 (21) (2018)
Ellen E Bruce, Nico F A van der Vegt
Does an electronic continuum correction improve effective short-range ion-ion interactions in aqueous solution? The Journal of chemical physics 148 (22) (2018)
Gregor Deichmann, Nico F A van der Vegt
Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics - A Proof of Concept Study on Weakly Polar Organic Molecules. Journal of chemical theory and computation 13 (12) (2017)
Cahit Dalgicdir, Francisco Rodríguez-Ropero, Nico F A van der Vegt
Computational Calorimetry of PNIPAM Cononsolvency in Water/Methanol Mixtures. The journal of physical chemistry. B 121 (32) (2017)
Nico F A van der Vegt, Divya Nayar
The Hydrophobic Effect and the Role of Cosolvents. The journal of physical chemistry. B 121 (43) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Nico F A van der Vegt