Isabell Louise Grothaus

Dr. Isabell Louise Grothaus

Visiting Postdoctoral Researcher

grothaus@...

Educational Background

PhD in Engineering, University Bremen, Germany (2019–2023)

Topic: Conformational phase spaces of N-glycans under the computational microscope
Distinction: Summa cum laude

MSc in Biochemistry and Molecular Biology, University Bremen, Germany (2017–2019)

Grade: 1.0

BSc in Biology, University Bielefeld, Germany (2014–2017)

Grade: 1.9

Professional Experience

Postdoctoral Researcher
Dioscuri Centre for Modelling of Posttranslational Modifications, Małopolska Centre of Biotechnology, Jagiellonian University Krakow (05/2024–Present)

Research Assistant
Hybrid Material Interfaces, Faculty of Production Engineering, University Bremen (2019–2024)

Supervised Bachelor and Master students
Conducted courses on atomistic simulation of macromolecules

Student Assistant
Max-Planck-Institute for Marine Microbiology, Bremen (2017–2018)

Worked on mass spectrometry

Selected Publications

Tsai, Y.-X.; ... ; Grothaus, I.L.; … ; Hummer, G.; Hsu, S.-T.D.; Hanus, C.; Sikora, M.

Rapid simulation of glycoprotein structures by grafting and steric exclusion of glycan conformer libraries.

Cell 187 (5), pp. 1296 - 1311 (2024)

DOI

Arend, C.*; Grothaus, I.L.*; Waespy, M.; Colombi Ciacchi, L.; Dringen, R.

Modulation of multidrug resistance protein 1-mediated transport processes by the antiviral drug ritonavir in cultured primary astrocytes.

Neurochemical Research 49, pp. 66 - 84 (2024)

DOI

*Shared first authorship

Grothaus, I.L.; Bussi, G.; Colombi Ciacchi, L.

Exploration, representation and rationalization of the conformational phase-space of N-glycans.

Journal of Chemical Information and Modeling 62, pp. 4992 - 5008 (2022)

DOI

Ayala Mariscal, S.M.; …; Grothaus, I.L.; … ; Kirstein, J.

Identification of a HTT-specific binding motif in DNAJB1 essential for suppression and disaggregation of HTT.

Nature Communications 13, pp. 4692 (2022)

DOI

Research Grants and Scholarships

North German Alliance for High- and Ultracomputing Performance

High performance computing resources (07/2022–06/2024, Project ID: hbb00002 at HLRN)
High performance computing resources (06/2020–12/2023, Project ID: hbb00001 at HLRN)

HPC-Europa3 Transnational Access Program

Residency and computational fellowship (09/2020–10/2020)

University Bremen Deutschlandstipendium (10/2018–10/2019)

Stiftung Studienfonds OWL Deutschlandstipendium (10/2016–03/2018)

Further Education

Plan M - Mentoring in Science, University Bremen (01/2024–Present)
Data Train – Operator Track, University Bremen (2021)
Data Train – Starter Track, University Bremen (2022)
Career Coaching for International Women in Science, University Bremen (2019–2020)

Social Engagement

Project CyberMentor, University Regensburg (2021–2022)

Mentor for female students in STEM fields

Synthetic Biology Conference Team, University Bremen (2018)

Planning, organization, and implementation of a scientific conference

Software Code

GlyCONFORMER: GitHub Repository
GlycoSHIELD: Project Page

Skills

Programming: Python, Bash, LaTeX
Operating Systems: Linux, MacOS, Windows
Software & Tools: Visualization (matplotlib, Jupyter), Data Analysis (pandas, git, mdanalysis), Machine Learning (scikit-learn, Pytorch), MS Office
Languages: German (native), English (fluent), French (intermediate)