Computational Biotechnology

 

Computational Biotechnology Group

The Computational Biotechnology group is supporting relevant teaching and research aspects in the Biology division of the Faculty of Mathematics, Computer Science, and Natural Sciences at the RWTH-Aachen. The group uses simulation methods and machine learning approaches to tackle biotechnological relevant questions at their very fine detail. Part of our work involves the development of interaction potentials and force fields for (bio)molecules in order to enhance both the accuracy, as well as the computational efficiency of the relevant simulations. Applications of this research are related, among others, to biofunctional materials, biosensors, DNA detection, energy applications.

 

 

Research focus

• DNA/RNA
• biomolecules
• nanopores
• 2D heterostructures
• biofunctional materials/templates
• ionic liquids
• tunable nanostructures for molecular and biological sensing

 

 

Open positions

In case you are interested in bachelor or master projects, please contact Maria Fyta directly.

Doctoral and postdoctoral openings are available. For additional inquiries and applications (a CV, a research statement, and a list of 3 references) please send an e-mail to Maria Fyta directly.

 

 

Additional information on research

See more detailed information on our research:

Download file

 

 

Selected Publications

• L. Oberer, A.D. Carral, and M. Fyta, Simple classification of RNA sequences of respiratory-related corona viruses, ACS Omega 6, 31, 20158 (2021)
• A.D. Carral, M. Ostertag, and M. Fyta, Deep learning for nanopore ionic current blockades, J.Chem.Phys. 154, 044111 (2021).
• T. Kobayashi, H. Kraus, N. Hansen, and M. Fyta, Confined Ru-catalysts in a two phase heptane/ionic liquid solution: modeling aspects, ChemCatChem 13, 739 (2021).
• M. Dou and M. Fyta, Lithium adsorption on 2D transition metal dichalcogenides: towards a descriptor for machine learned materials design, Journal of Materials Chemistry A 8, 23511 (2020).
• F.A. de Souza, G. Sivaraman, M. Fyta, R.H. Scheicher, W.L. Scopel, R.G. Amorim, Sensing Hachimoji DNA nucleotides through a hybrid graphene/h-BN nanopore, Nanoscale 12, 18289 (2020).
• A. Diaz Carral, C.S. Sarap, K. Liu, A. Radenovic, and M. Fyta, 2D MoS₂ nanopores: ionic current blockade height for clustering DNA events, 2D Materials 6, 045011 (2019).

 

News

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The Computational Biotechnology group begins its activities at the RWTH.