Author

L. Wehrhan

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Biology Disciplines

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Biochemistry· 1 Biophysics· 1

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Research Focus:protein folding & dynamics· 2 Approach:mechanistic / dynamical model· 1 Assay:protein structure· 1 Approach:statistical model· 1 Assay:structural biology· 1

Frequent Co-Authors

B. G. Keller· 2 shared B. Koksch· 1 shared B. Loll· 1 shared J. Leppkes· 1 shared N. Dimos· 1 shared

Activity by Year

2022-2024 · peak 1/yr

Co-Author Collaboration Network

5 top collaborators · 10 mutual co-author links

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2 shared papersBiophysics

B. G. Keller

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2 papers

Recent·Most cited

Pre-bound State Discovered in the Unbinding Pathway of Fluorinated Variants of the Trypsin-BPTI Complex Using Random AccelerationMolecular Dynamics Simulations

L. Wehrhan, B. G. Keller

The paper identifies a pre-bound state in the unbinding pathway of fluorinated BPTI variants using Random Acceleration Molecular Dynamics, showing fluorination stabilizes this state and lowers energy barriers.

bioRxiv · Feb 22, 2024 · PreprintBiophysics

Water network in the binding pocket of fluorinated BPTI-Trypsin complexes - insights from simulation and experiment

L. Wehrhan, J. Leppkes, N. Dimos, B. Loll, B. Koksch, B. G. Keller

The paper investigates how fluorination of amino acid side chains in BPTI affects inhibitor strength by analyzing water networks in the binding pocket using simulations and experiments.

bioRxiv · Jun 17, 2022 · PreprintBiochemistry