Niels Hansen

Publication Activity (10 Years)

Years Active: 2012-2024
Publications (10 Years): 7

Top Topics

Detecting Malicious

Molecular Structure

Bethe Free Energy

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

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. J. Chem. Inf. Model. 64 (12) (2024)
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. J. Comput. Aided Mol. Des. 36 (1) (2022)
Jeffrey Adams, Niels Hansen, Kun Zhang
Identification of Partially Observed Linear Causal Models: Graphical Conditions for the Non-Gaussian and Heterogeneous Cases. NeurIPS (2021)
Julia Gebhardt, Matthias Kiesel, Sereina Riniker, Niels Hansen
Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients. J. Chem. Inf. Model. 60 (11) (2020)
Niels Hansen, Lorenzo De Carli, Drew Davidson
Assessing Adaptive Attacks Against Trained JavaScript Classifiers. SecureComm (1) (2020)
Daniel Markthaler, Hamzeh Kraus, Niels Hansen
Overcoming Convergence Issues in Free-Energy Calculations of Amide-to-Ester Mutations in the Pin1-WW Domain. J. Chem. Inf. Model. 58 (11) (2018)
Manuela Maurer, Niels Hansen, Chris Oostenbrink
Comparison of free-energy methods using a tripeptide-water model system. J. Comput. Chem. 39 (26) (2018)
Niels Hansen, Jozica Dolenc, Matthias Knecht, Sereina Riniker, Wilfred F. van Gunsteren
Assessment of enveloping distribution sampling to calculate relative free enthalpies of binding for eight netropsin-DNA duplex complexes in aqueous solution. J. Comput. Chem. 33 (6) (2012)