Till El Harrar

Post-doctoral Researcher

Research Topics

Bioinformatics, Bioeconomy, MD Simulations & Enhanced Sampling Methods, Free Energy Computations, Enyzme Engineering, Machine Learning, Lipases

Contact

+49 2461/61-85426

E-Mail

Address

Forschungszentrum Jülich GmbH
Wilhelm-Johnen-Straße
52428 Jülich

Institute of Bio- and Geosciences (IBG)

Bioinformatics (IBG-4)

Building 14.6y / Room 4039

About me

Post-doctoral researcher in Computational Biotechnology, Data Science, and Bioeconomy by investigating the enzyme stability under non-natural conditions using MD simulations and other computational tools. I also really like coffee and chess.

Publications

El Harrar, T. ; Frieg, B. ; Davari, M. D. ; Jaeger, K.-E. ; Schwaneberg, U. ; Gohlke, H. , Aqueous ionic liquids redistribute local enzyme stability via long-range perturbation pathways, Computational and structural biotechnology journal 19, 4248-4264 (2021)

El Harrar, T. ; Davari, M. D. ; Jaeger, K.-E. ; Schwaneberg, U. ; Gohlke, H. , Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation Mutagenesis, Computational and structural biotechnology journal 20, 399-409 (2021)

El Harrar, T. & Gohlke, H. , Critical Assessment of Structure-based Approaches to Improve Protein Resistance in Aqueous Ionic Liquids by Enzyme-wide Saturation MutagenesisCumulative Millisecond-Long Sampling for a Comprehensive Energetic Evaluation of Aqueous Ionic Liquid Effects on Amino Acid Interactions, Journal of chemical information and modeling 63(1), 281–298 (2022)

Till El Harrar, Doctoral Thesis: Improving Enzyme Stability in Aqueous Ionic Liquids: A Large-Scale Data-Driven Computational Study, 249 p. (2024)

Last Modified: 22.04.2025