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Helmut Grubmüller

Max Planck Society

362

Papers

19677

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GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design.

2022 J. Chem. Inf. Model.
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Folding of VemP into translation-arresting secondary structure is driven by the ribosome exit tunnel

2021 bioRxiv
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Small-sample limit of the Bennett acceptance ratio method and the variationally derived intermediates

2021 Physical Review E
- Martin Reinhardt
- Helmut Grubmüller
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A Cuda Fast Multipole Method with Highly Efficient M2L Far Field Evaluation

2021 Biophysical Journal
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Small Sample Limit of the Bennett Acceptance Ratio Method and the Variationally Derived Intermediates.

2021 arXiv: Computational Physics
- Martin Reinhardt
- Helmut Grubmüller
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Tight docking of membranes before fusion represents a metastable state with unique properties.

2021 Nature Communications
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GROMACS implementation of free energy calculations with non-pairwise Variationally derived Intermediates

2021 Computer Physics Communications
- Martin Reinhardt
- Helmut Grubmüller
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Towards Protein Function Prediction Based on Molecular Dynamics Simulations

2021 Biophysical Journal
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Spatiotemporal Resolution of Conformational Changes in Biomolecules by Combining Pulsed Electron-Electron Double Resonance Spectroscopy with Microsecond Freeze-Hyperquenching.

2021 Journal of the American Chemical Society
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Magnesium Coordination of ATP - Force Field Evaluation and Structure-Driven Correction

2021 Biophysical Journal
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