Prof. Dr. Irena Roterman, Jagiellonian University Medical College, Poland.
Prof. Irena Roterman-Konieczna is a distinguished scientist whose academic roots in theoretical chemistry and biochemistry evolved into groundbreaking contributions in bioinformatics. With a Ph.D. and habilitation in biochemistry, and a postdoctoral fellowship at Cornell University, she developed a unique perspective on protein structure and folding. Her most notable innovation is the Fuzzy Oil Drop (FOD) model, which simulates protein folding by incorporating environmental effects using a 3D Gaussian function to map hydrophobicity distribution. This model has wide applicability—from understanding membrane proteins and amyloids to analyzing domain-swapping and receptor anchoring.
Profile
Scopus
🎓 Early Academic Pursuits
Irena Roterman-Konieczna began her academic journey in theoretical chemistry at the prestigious Jagiellonian University, graduating from the Faculty of Chemistry in 1974. Her early interest in molecular structure and the physicochemical underpinnings of biological systems laid a strong foundation for her interdisciplinary career. She deepened her scientific expertise by earning a Ph.D. in biochemistry in 1984 from Nicolaus Copernicus Medical Academy in Krakow, focusing on the structure of the recombinant IgG hinge region. Her postdoctoral studies at Cornell University from 1987 to 1989, under the mentorship of Harold A. Scheraga, further shaped her academic development. There, she explored force fields used in prominent computational programs like AMBER, CHARMM, and ECEPP, bridging theoretical modeling with biomolecular reality.
🧬 Professional Endeavors in Bioinformatics
Throughout her career, Prof. Roterman-Konieczna has been at the forefront of bioinformatics, dedicating herself to unraveling the mysteries of protein structure and amyloid formation. Following her habilitation in biochemistry at the Jagiellonian University Faculty of Biotechnology in 1994 and the conferment of her professorial degree in medical sciences in 2004, she continued to pioneer innovative methods in structural bioinformatics. Her hallmark contribution, the Fuzzy Oil Drop (FOD) model, revolutionized the understanding of protein folding. The model uniquely incorporates environmental influence into folding simulations by using a 3D Gaussian function to describe hydrophobicity distribution—proposing that hydrophobic residues form a central core while hydrophilic residues remain exposed. This paradigm introduced a more realistic, dynamic framework for simulating in silico protein folding.
🧪 Contributions and Research Focus
Prof. Roterman-Konieczna’s research has explored how proteins behave not only in aqueous environments but also within membranes and under the influence of external force fields. By modifying the Gaussian-based FOD model, she extended its applicability to membrane proteins, enabling quantification of their anchoring mechanisms and mobility. Her investigations into chaperonins and domain-swapping phenomena further illustrate the power of her model to decode complex folding and protein-protein interactions. She introduced a dual-variable simulation function—accounting for both internal forces (non-bonded interactions within the protein chain) and external forces (environmental effects)—to guide structural transformation toward energy minima. These ideas are foundational in modern computational biology, where realistic folding predictions are critical for understanding disease mechanisms and therapeutic targeting.
📘 Scholarly Publishing and Intellectual Outreach
A prolific author, Prof. Roterman-Konieczna has made significant contributions to scientific literature. She has authored several influential books, many published in Open Access to promote knowledge sharing. These works include “Protein Folding In Silico” (Elsevier), “Systems Biology – Functional Strategies of Living Organism” (Springer), and “From Globular Proteins to Amyloids” (Elsevier, 2020). Her books elegantly communicate complex bioinformatic strategies, such as ligand binding site identification, protein-protein interactions, and computer-aided diagnostics. Moreover, her editorial leadership from 2005 to 2020 as Chief Editor of the journal Bio-Algorithms and Med-Systems cemented her influence in shaping interdisciplinary dialogues at the intersection of medicine, biology, and computation.
🏆 Accolades and Recognition
Prof. Roterman-Konieczna’s work has earned international acclaim. Notably, she is listed among the Top 2% scientists worldwide by Stanford University and Elsevier—a testament to her influential research and academic reputation. With 149 publications indexed in PubMed, her impact on the bioinformatics community is both broad and profound. Over the course of her career, she has also served as a mentor to 14 doctoral students, many of whom continue to contribute to research and innovation across various fields of biomedicine.
🌐 Impact and Influence
Her research has advanced global understanding of how proteins fold, interact, and misfold—a process central to neurodegenerative diseases such as Alzheimer’s. The FOD model continues to provide a computational lens for studying amyloid formation and supramolecular assemblies. Her model is also pivotal in studying receptor anchoring in membranes and exploring domain-swapping mechanisms critical to protein complex formation. By integrating thermodynamic theory, statistical modeling, and structural biology, her work bridges theoretical research with biomedical applications, pushing the boundaries of in silico experimentation.
🧭 Legacy and Future Contributions
Prof. Irena Roterman-Konieczna’s legacy is rooted in her visionary approach to molecular biology, championing models that blend computational precision with biological realism. Her commitment to open access publishing and academic mentoring reflects a deep dedication to inclusive, sustainable scientific progress. As systems biology and personalized medicine continue to evolve, her models and insights will remain cornerstones for future explorations in disease modeling, drug design, and molecular diagnostics. Her career exemplifies how interdisciplinary thinking and computational ingenuity can transform the life sciences, leaving a legacy that will guide future generations of scientists.
Publication
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Title: Aquaporins as Membrane Proteins: The Current Status
Authors: I.K. Roterman (Irena K.), K. Stapor (Katarzyna), D. Dułak (Dawid), G. Szoniec (Grzegorz), L. Konieczny (Leszek)
Year: 2025
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Title: Domain swapping: a mathematical model for quantitative assessment of structural effects
Authors: I.K. Roterman (Irena K.), K. Stapor (Katarzyna), D. Dułak (Dawid), L. Konieczny (Leszek)
Year: 2024
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Title: Chameleon Sequences─Structural Effects in Proteins Characterized by Hydrophobicity Disorder
Authors: I.K. Roterman (Irena K.), M. Slupina (Mateusz), K. Stapor (Katarzyna), K. Gądek (Krzysztof), P. Nowakowski (Piotr)
Year: 2024
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Title: External Force Field for Protein Folding in Chaperonins─Potential Application in In Silico Protein Folding
Authors: I.K. Roterman (Irena K.), K. Stapor (Katarzyna), D. Dułak (Dawid), L. Konieczny (Leszek)
Year: 2024
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Title: Structural features of Prussian Blue-related iron complex FeT of activity to peroxidate unsaturated fatty acids
Authors: M. Lasota (Małgorzata), G. Zemanek (Grzegorz), O. Barczyk-Woźnicka (Olga), L. Konieczny (Leszek), I.K. Roterman (Irena K.)
Year: 2024
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Title: Editorial: Structure and function of trans-membrane proteins
Authors: I.K. Roterman (Irena K.), M.M. Brylinski (Michal Michal), F. Polticelli (Fabio), A.G. de Brevern (Alexandre G.)
Year: 2024
🧠 Conclusion
Prof. Roterman-Konieczna’s career stands as a testament to how deep scientific insight and computational innovation can revolutionize biological understanding. Her FOD model not only enriches the study of protein dynamics but also provides a versatile framework for medical and pharmaceutical applications. With a legacy built on rigorous research, educational outreach, and academic leadership, her influence will continue to guide future advances in molecular biology, bioinformatics, and biomedical science.