Niels Hansen

11 papers Journal 10Unranked 1
YearRankTypeTitle / Venue / Authors
2025 J jnl
Comment on "Advancing material property prediction: using physics-informed machine learning models for viscosity".
J. Cheminformatics
Maximilian Fleck, Samir Darouich, Marcelle B. M. Spera, Niels Hansen
2025 J jnl
Correction to "Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach".
J. Chem. Inf. Model.
Maria Pechlaner, Wilfred F. van Gunsteren, Lorna J. Smith, Bartosz Stankiewicz, Lukas N. Wirz, Niels Hansen
2025 J jnl
Physics-Informed Multifidelity Gaussian Process: Modeling the Effect of Water and Temperature on the Viscosity of a Deep Eutectic Solvent.
J. Chem. Inf. Model.
Maximilian Fleck, Samir Darouich, Jürgen Pleiss, Niels Hansen, Marcelle B. M. Spera
2025 J jnl
Use of Measured Residual Dipolar Couplings to Calculate Residual Dipolar Couplings for a Protein Structure: A Case Study Using Hen Egg-White Lysozyme.
J. Chem. Inf. Model.
Maria Pechlaner, Wilfred F. van Gunsteren, Niels Hansen, Lorna J. Smith
2024 J jnl
Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach.
J. Chem. Inf. Model.
Maria Pechlaner, Wilfred F. van Gunsteren, Lorna J. Smith, Bartosz Stankiewicz, Lukas N. Wirz, Niels Hansen
2022 J jnl
Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.
J. Comput. Aided Mol. Des.
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
2020 — conf
Assessing Adaptive Attacks Against Trained JavaScript Classifiers.
SecureComm (1)
Niels Hansen, Lorenzo De Carli, Drew Davidson
2020 J jnl
Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients.
J. Chem. Inf. Model.
Julia Gebhardt, Matthias Kiesel, Sereina Riniker, Niels Hansen
2018 J jnl
Comparison of free-energy methods using a tripeptide-water model system.
J. Comput. Chem.
Manuela Maurer, Niels Hansen, Chris Oostenbrink
2018 J jnl
Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain.
J. Chem. Inf. Model.
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
2012 J jnl
Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution.
J. Comput. Chem.
Niels Hansen, Jozica Dolenc, Matthias Knecht, Sereina Riniker, Wilfred F. van Gunsteren