MSCA Doctoral Researcher

Boutheina Zender

Boutheina Zender
MSCA Doctoral Researcher

Boutheina Zender

Doctoral researcher in the EU-funded Marie Skłodowska-Curie PhotoCaM Doctoral Network at the University of Patras, working on computational structural biology and molecular dynamics of diatom light-harvesting complexes.

Email

About

I use molecular dynamics simulations to study the conformational dynamics of diatom light-harvesting complexes — the fucoxanthin chlorophyll a/c-binding proteins (FCPs) and the photoprotective protein LHCX1 — to understand how diatoms switch between harvesting light and protecting themselves from it.

My background is interdisciplinary, spanning biotechnology, microbiology, bioengineering and bioinformatics. Computationally I model protein structures with AlphaFold2, build membrane-protein systems with CHARMM-GUI, and run all-atom simulations and trajectory analysis in GROMACS, including machine-learning-based approaches such as Markov state modelling. I also have hands-on wet-lab experience in cell culture, HPLC, PCR and microbial fermentation, and I have carried out research placements in Türkiye and India.

Education

2024 – Present

PhD, Computational Structural Biology & Molecular Dynamics Simulation

University of Patras, Greece

Marie Skłodowska-Curie Actions (MSCA) Doctoral Network PhotoCaM, fully funded doctoral fellowship. Research on the conformational dynamics of diatom light-harvesting complexes (FCP / LHCX1), supervised by Prof. Vangelis Daskalakis.

2021 – 2024

MSc, Bioengineering (Bioinformatics & Computational Biology)

Bahçeşehir University (BAU), Istanbul, Türkiye

Thesis: "In silico modelling and molecular dynamics simulations of a cpGFP-derived fluorescent oxytocin receptor biosensor," supervised by Prof. Alper Devrim Özkan.

2014 – 2019

State Engineer & Master, Microbial Biotechnology · Bachelor, Biotechnology

Higher National School of Biotechnology (ENSB), Algeria

Thesis: "Optimization of α-amylase production by Streptomyces sp. using date waste," supervised by Dr. Mouna Imène Oussadi and co-supervised by Dr. Mohammed Berkani.

Research Experience

2024 – Present

Doctoral Researcher (MSCA Fellow)

University of Patras, Greece · PhotoCaM Doctoral Network

Studies the conformational dynamics of diatom light-harvesting complexes — the fucoxanthin chlorophyll a/c-binding proteins (FCPs) and how they interact with the photoprotective protein LHCX1 — to understand how diatoms switch between light harvesting and photoprotection. Predicts and models FCP monomers and FCP–LHCX1 complexes using machine learning and homology modelling, and applies machine-learning-based MD analysis tools, such as Markov state modelling, to identify the main conformational states.

Oct 2021 – Apr 2024

Graduate Student Research Assistant

Bahçeşehir University, Istanbul, Türkiye

Designed and modelled a cpGFP-derived fluorescent oxytocin receptor biosensor and assembled the sequences of the fluorescent reporter constructs. Predicted protein structures with AlphaFold2, built membrane-embedded simulation systems with CHARMM-GUI, ran and analysed all-atom MD simulations in GROMACS, performed protein–protein docking, and used Python and machine learning for data analysis.

Jan 2023 – Mar 2023

Research Intern

Vellore Institute of Technology (VIT), India · via AIESEC Global Talent

Contributed to research projects and academic publications alongside a team of PhD and master's students. Wet-lab work in biochemistry, cell culture, HPLC and peptide synthesis; computational work in SeeSAR docking, MD simulation and drug design. Supervised by Prof. Loganathan Rangasamy.

Oct 2022 – Jan 2023

Student Research Assistant

Food and Agriculture Organization of the United Nations (FAO), Türkiye

Project: "Catalysing Sustainable Investments and Trade in Food Systems in Southern Africa," supervised by Prof. Adam Saffer.

Oct 2019 – Mar 2020

Teaching Assistant (part-time)

University of Batna, Algeria

Led the practical tutorial sessions (travaux dirigés) of the cytology course.

Awards & Entrepreneurship

2026

Best Poster Prize, Light Harvesting Satellite Meeting (ICPR 2026)

University of Liverpool, UK
2022 – 2023

Founder, PACKOBY — Winner, FOOD Bio-Packaging start-up competition

BAU × CIFAL × Migros × FAO SAVE FOOD × Messe Düsseldorf (Türkiye–Germany)

Led the team that developed the winning prototype: sustainable food packaging made from bacterial-cellulose biofilm and orange-peel waste. The project was presented at Interpack 2023 in Düsseldorf, Germany.

Jan 2021

Diploma of Merit and Recognition

Awarded by the Governor of Batna, Algeria

Received for volunteer work in the home-hospitalisation service for COVID-19 patients in Batna.

Skills

GROMACS All-atom MD Simulation Post-MD Trajectory Analysis Markov State Modelling CHARMM-GUI AlphaFold2 Homology Modelling Protein–Protein Docking cpGFP Biosensor Design Python / Biopython Linux & Command Line Machine Learning with Python PyMOL · Chimera · VMD · Maestro Cell Culture · HPLC · PCR Microbial Fermentation
Languages

Arabic — Native
French — Native / bilingual
English — Advanced, professional
Turkish — Basic

Training

Data Science & Machine Learning with Python (DecodeLife, 2024)
Drug Discovery & Post-MD Simulation Analysis (DecodeLife, 2023)
PCR Technique Certification (Biotecnika, 2023)
Epigenomics & Immunoinformatics (DecodeLife, 2023)
Biological Risk Management (CRBT, 2017)

Publications

JRN

Conformational Plasticity Enables Functional Switching in Diatom Light-Harvesting Complexes

Sousani TI*, Zender B*, Maity S, Kleinekathöfer U, Daskalakis V. Communications Chemistry 8, 392 (2025). doi.org/10.1038/s42004-025-01774-x — *equal contribution, co-first author.

JRN

Powering Up Targeted Protein Degradation Through Active and Passive Tumour-Targeting Strategies: Current and Future Scopes

Venkatesan J, Murugan D, Lakshminarayanan K, Smith AR, Thirumalaiswamy HV, Kandhasamy H, Zender B, Zheng G, Rangasamy L. Pharmacology & Therapeutics 263, 108725 (2024). doi.org/10.1016/j.pharmthera.2024.108725

Conference Presentations

2026

Poster — Light Harvesting Satellite Meeting of ICPR 2026

University of Liverpool, UK · Best Poster Prize
2025

"Computational Insights into the Dynamic Interactions of FCP–LHCX1 Complexes in Diatoms"

European Society for Photobiology (ESP) Congress 2025, Bari, Italy