Ulrich Kleinekathöfer

Orcid: 0000-0002-6114-7431

According to our database1, Ulrich Kleinekathöfer authored at least 7 papers between 2010 and 2024.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of five.

Timeline

2010
2012
2014
2016
2018
2020
2022
2024
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2
3
2
2
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Legend:

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In proceedings 
Article 
PhD thesis 
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Links

On csauthors.net:

Bibliography

2024
Evaluation of uncertainty estimations for Gaussian process regression based machine learning interatomic potentials.
CoRR, 2024

Spectral Densities, Structured Noise and Ensemble Averaging within Open Quantum Dynamics.
CoRR, 2024

2023
Conformational Dynamics of Loop L3 in OmpF: Implications toward Antibiotic Translocation and Voltage Gating.
J. Chem. Inf. Model., February, 2023

Multi-Fidelity Machine Learning for Excited State Energies of Molecules.
CoRR, 2023

2020
Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials.
J. Chem. Inf. Model., 2020

Computational Modeling of Ion Transport in Bulk and through a Nanopore Using the Drude Polarizable Force Field.
J. Chem. Inf. Model., 2020

2010
Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations.
PLoS Comput. Biol., 2010


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