Niels Hansen

According to our database, Niels Hansen authored at least 7 papers between 2012 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange.

Daniel Markthaler, Hamzeh Kraus, Niels Hansen

J. Comput. Aided Mol. Des., 2022

2021

Identification of Partially Observed Linear Causal Models: Graphical Conditions for the Non-Gaussian and Heterogeneous Cases.

Jeffrey Adams, Niels Hansen, Kun Zhang

Proceedings of the Advances in Neural Information Processing Systems 34: Annual Conference on Neural Information Processing Systems 2021, 2021

2020

Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients.

Julia Gebhardt, Matthias Kiesel, Sereina Riniker, Niels Hansen

J. Chem. Inf. Model., 2020

Assessing Adaptive Attacks Against Trained JavaScript Classifiers.

Niels Hansen, Lorenzo De Carli, Drew Davidson

Proceedings of the Security and Privacy in Communication Networks, 2020

2018

Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain.

Daniel Markthaler, Hamzeh Kraus, Niels Hansen

J. Chem. Inf. Model., 2018

Comparison of free-energy methods using a tripeptide-water model system.

Manuela Maurer, Niels Hansen, Chris Oostenbrink

J. Comput. Chem., 2018

2012

Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution.

Niels Hansen, Jozica Dolenc, Matthias Knecht, Sereina Riniker, Wilfred F. van Gunsteren

J. Comput. Chem., 2012