Greetings!

I'm a computational biologist working as a postdoc in ESPCI.

How does a protein or an RNA works? How could I make one that does this interesting thing? That is the type of question I'm working on.

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🎓 Research interests

How to design proteins ?

Don't let the simplicity of this question fool you! Indeed, protein design hides multiple fundamental questions - which essentially shows how little we know about these very well-known molecules. well-known molecules.

Roughly speaking, two approaches are fighting: i) machine learning takes natural protein examples to design new ones, and ii) physics explicitly models the details hidden in protein atoms! I followed the second option, where in collaboration with experimentalists, we not only designed proteins for molecular structure stability but also new catalytic proteins (enzymes). The methods we worked on are implemented in the Proteus Software developed in Thomas Simonson's lab.

One gene can hide another one !

There is a natural process by which one gene can hide another gene — these genes are called overlapping genes. This sounds like magic, but it's not! This is simply due to two features of the genetic code: DNA is read by codons (triplets of nucleotides), and the genetic code is redundant.

Overlapping genes have multiple implications in evolutionary theories but not only. We devised an algorithm that can somehow "morph" two genes such that in the end both are intricated (overlap). You could only diferenciate the first gene from the second by reading the genetic sequence in a special way. Bluffing, right ?



🎓 Short Bio

After a Master in Bioinformatics at Paris-Saclay University (2015-2017), I started a PhD in Biology at Ecole Polytechnique (Institut Polytechnique de Paris). From 2017 to 2020, I worked on Computational Protein Design under the supervision of Pr. Thomas Simonson in the Structural Biology of the Cell laboratory. Next, I started a postdoc position at the Max Planck Institute for Mathematics in Sciences (Leipzig, Germany), from 2020 to 2022.

📚 Publications

2023
Journal Enzyme redesign and genetic code expansion
Protein Engineering, Design and Selection, 2023, paper
Vaitea Opuu, Thomas Simonson
Journal Redesigning methionyl-tRNA synthetase for β-methionine activity with adaptive landscape flattening and experiments
Protein Science, 2023, paper
Vaitea Opuu, Giuliano Nigro, Christine Lazennec-Schurdevin, Yves Mechulam, Emmanuelle Schmitt , Thomas Simonson
Journal High-throughput droplet-based analysis of influenza A virus genetic reassortment by single-virus RNA sequencing
PNAS, 2023, paper
Kuang-Yu Chen* ,Jayaprakash Karuppusamy*,Mary B. O’Neill*, Vaitea Opuu ,Mathieu Bahin ,Sophie Foulon ,Pablo Ibanez ,Lluis Quintana-Murci ,Tatsuhiko Ozawa ,Sylvie van der Werf ,Philippe Nghe ,Nadia Naffakh ,Andrew Griffiths ,Catherine Isel
2022
Conference Investigating graph neural network for RNA structural embedding
Machine Learning for Structural Biology Workshop, NeurIPS 2022, 2022, paper
Vaitea Opuu, Hélène Bret
Journal RAFFT: Efficient prediction of RNA folding pathways using the fast Fourier transform
Plos Computational Biology, 2022, doi
Vaitea Opuu, Nono S. C. Merleau, Vincent Messow, Matteo Smerlak
Chapter Knowledge-Based Unfolded State Model for Protein Design
methods in Molecular Biology: Computational Peptide Science, 2022
Vaitea Opuu, David Mignon, Thomas Simonson
2020
Journal Adaptive Landscape Flattening Allows the Design of Both Enzyme: Substrate Binding and Catalytic Power
Plos Computational Biology, 2020, doi
Vaitea Opuu, Giuliano Nigro, Thomas Gaillard, Emmanuelle Schmitt, Yves Mechulam, Thomas Simonson
Journal A Physics-Based Energy Function Allows the Computational Redesign of a Pdz Domain
Scientific Reports, 2020, doi
Vaitea Opuu*, Young Joo Sun*, Titus Hou, Nicolas Panel, Ernesto J. Fuentes, Thomas Simonson
Journal Proteus software for physics-based protein design
The Journal of Physical Chemistry Part A, 2020, doi
David Mignon, Karen Druart*, Eleni Michael*, Vaitea Opuu*, Savvas Polydorides*, Francesco Villa*, Thomas Gaillard, Nicolas Panel, Georgios Archontis, Thomas Simonson
Chapter Computational Design of PDZ-Peptide Binding
methods in Molecular Biology: PDZ domains, 2020
Nicolas Panel, Vaitea Opuu, Francesco Villa, David Mignon, Thomas Simonson
2018
Journal Meet-U: educating through research immersion
Plos Computational Biology, 2018, doi
Nika Abdollahi, Alexandre Albani, Eric Anthony, Agnes Baud, Mélissa Cardon, Robert Clerc, Dariusz Czernecki, Romain Conte, Laurent David, Agathe Delaune, et al
Conference Computational design of fully overlapping coding schemes for portein pairs and triplets
(proceeding of) advances in systems and synthetic biology, page 97, 2018
Vaitea Opuu, Martin Silvert, Thomas Simonson
2017
Journal Computational Design of Fully Overlapping Coding Schemes for Protein Pairs and Triplets
Scientific Reports, 2017, doi
Vaitea Opuu, Martin Silvert, Thomas Simonson
Ph.D Thesis Computational design of proteins and enzymes
Institut Polytechnique de Paris, 2020, link
Vaitea Opuu