Niels Hansen

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 25

Top Venues

The journal of physical chemistry. B

Journal of chemical information and modeling

ACS nano

Nature communications

University of Stuttgart

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

Affiliation History

University of Stuttgart Jan 01 2020

Germany

Adjunct Professor :: Institute of Thermodynamics and Thermal Process Engineering

University of Stuttgart Jan 01 2014 - Dec 31 2019

Germany

Assistant Professor :: Institute of Thermodynamics and Thermal Process Engineering

Swiss Federal Institute of Technology (ETH) Mar 01 2010 - Dec 31 2013

Switzerland

Postdoc :: Group for Computer-Aided Chemistry

Hamburg University of Technology Jun 01 2004 - Jan 31 2010

Germany

PhD student :: Department of Chemical Engineering

Publications

Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano (2024)
Maximilian Fleck, Wassja A Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Groß, Kai Leonhard
Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections. Journal of chemical theory and computation (2024)
Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith, Bartosz Stankiewicz, Lukas N Wirz, Niels Hansen
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. Journal of chemical information and modeling (2024)
Maria Pechlaner, Wilfred F van Gunsteren, Lorna J Smith, Bartosz Stankiewicz, Lukas N Wirz, Niels Hansen
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. Journal of chemical information and modeling 64 (12) (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
Transferable Anisotropic Mie Potential Force Field for Alkanediols. The journal of physical chemistry. B 128 (19) (2024)
Andreas Schneider, Thomas B Lystbæk, Daniel Markthaler, Niels Hansen, Bernhard Hauer
Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. Nature communications 15 (1) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
TAMie Force Field for Alkanethiols: Multifidelity Gaussian Processes for Dealing with Scarce Experimental Data. The journal of physical chemistry. B (2024)
Maximilian Fleck, Samir Darouich, Niels Hansen, Joachim Groß
Transferable Anisotropic Mie Potential Force Field for Alkanediols. The journal of physical chemistry. B (2024)
Andreas Schneider, Thomas B Lystbæk, Daniel Markthaler, Niels Hansen, Bernhard Hauer
Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. Nature communications 15 (1) (2024)
Andreas Schneider, Thomas B Lystbæk, Daniel Markthaler, Niels Hansen, Bernhard Hauer
Biocatalytic stereocontrolled head-to-tail cyclizations of unbiased terpenes as a tool in chemoenzymatic synthesis. Nature communications 15 (1) (2024)
Lars Grunenberg, Christopher Keßler, Tiong Wei Teh, Robin Schuldt, Fabian Heck, Johannes Karwounopoulos, Joachim Groß, Niels Hansen, Bettina V Lotsch
Probing Self-Diffusion of Guest Molecules in a Covalent Organic Framework: Simulation and Experiment. ACS nano 18 (25) (2024)
Wilfred F van Gunsteren, Maria Pechlaner, Lorna J Smith, Bartosz Stankiewicz, Niels Hansen
A Method to Derive Structural Information on Molecules from Residual Dipolar Coupling NMR Data. The journal of physical chemistry. B 126 (21) (2022)
Daniel Markthaler, Maximilian Fleck, Bartosz Stankiewicz, Niels Hansen
Exploring the Effect of Enhanced Sampling on Protein Stability Prediction. Journal of chemical theory and computation 18 (4) (2022)
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. Journal of computer-aided molecular design 36 (1) (2022)
Lorna J Smith, Wilfred F van Gunsteren, Bartosz Stankiewicz, Niels Hansen
On the use of 3J-coupling NMR data to derive structural information on proteins. Journal of biomolecular NMR 75 (1) (2021)
Lorna J Smith, Wilfred F van Gunsteren, Niels Hansen
On the Use of Side-Chain NMR Relaxation Data to Derive Structural and Dynamical Information on Proteins: A Case Study Using Hen Lysozyme. Chembiochem : a European journal of chemical biology 22 (6) (2020)
Julia Gebhardt, Matthias Kiesel, Sereina Riniker, Niels Hansen
Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients. Journal of chemical information and modeling 60 (11) (2020)
Jörg Baz, Christoph Held, Juergen Pleiss, Niels Hansen
Thermophysical properties of glyceline-water mixtures investigated by molecular modelling. Physical chemistry chemical physics : PCCP 21 (12) (2019)
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain. Journal of chemical information and modeling 58 (11) (2018)
Julia Gebhardt, Catharina Kleist, Sven Jakobtorweihen, Niels Hansen
Validation and Comparison of Force Fields for Native Cyclodextrins in Aqueous Solution. The journal of physical chemistry. B 122 (5) (2018)
Daniel Markthaler, Johannes Zeman, Jörg Baz, Jens Smiatek, Niels Hansen
Validation of Trimethylamine-N-oxide (TMAO) Force Fields Based on Thermophysical Properties of Aqueous TMAO Solutions. The journal of physical chemistry. B 121 (47) (2017)
Lorna J Smith, Wilfred F van Gunsteren, Niels Hansen
Using Complementary NMR Data Sets To Detect Inconsistencies and Model Flaws in the Structure Determination of Human Interleukin-4. The journal of physical chemistry. B 121 (29) (2017)
Lorna J Smith, Roya Athill, Wilfred F van Gunsteren, Niels Hansen
Interpretation of Seemingly Contradictory Data: Low NMR S2 Order Parameters Observed in Helices and High NMR S2 Order Parameters in Disordered Loops of the Protein hGH at Low pH. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (40) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Niels Hansen