Multi-Scale In Silico Laboratory for Complex and Smart Biomaterials

Echipa BioMat4CAST

The strategic objective of the BioMat4CAST project is to implement a structural change within in the scientific management paradigm of “Petru Poni” Institute of Macromolecular Chemistry (ICMPP), Iasi, Romania, by setting up a competitive research group in the field of computational chemistry under the supervision of an outstanding researcher manager in the field of computational chemistry, Prof Aatto Laaksonen (Arrhenius Laboratory, Stockholm University, Sweden). The objectives of the BioMat4CAST project addresses directly to the targets of the Horizon Europe program: "to support research organisations to attract outstanding researcher and/or innovator in the hosen scientific domain thus to achieve excellence on a sustainable basis".

The BioMat4CAST project results matches the Destination 2: Attracting and Mobilising the Best Talents of the Horizon Europe program. The BioMat4CAST project will raise the RTD standards of ICMPP – as the first NE Romanian Region research center having a critical mass enabling it to spread excellence in the specific field of computational chemistry able to link the Romanian computational school to the World Association of Theoretical and Computational Chemists through on-going cooperation, partnership and shearing of know-how/technical expertise. The ambition of BioMat4CAST project is to become, after the project ends, an example of good practice and a model of knowledge sharing.

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We are proud to announce the new BioMat4CAST articles. Congratulations to our collegues !!!

1. Revealing the supramolecular interactions of the bis(azopyrenyl) dibenzo-18-crown-6-ether system
A. Coroaba, C. Al-Matarneh, T. Vasiliu, S. Ibanescu , R. Zonda,
I. Esanu, .D. Isac, M. Pinteala

Journal of Molecular Liquids 374, 121298, 2023.
- DOI: 10.1016/j.molliq.2023.121298
2. Molecular dynamics simulations reveal the hidden EF-hand of EF-SAM as a possible key thermal sensor for STIM1 activation by temperature
Andrei Neamtu, Dragomir N. Serban, Greg J. Barritt, Dragos Lucian Isac
Tudor Vasiliu, Aatto Laaksonen, Ionela Lacramioara Serban

Journal of Biological Chemistry
- DOI: 10.1016/j.jbc.2023.104970
3. Conformational flexibility of spermidine3+ interacting with DNA double helix
Perepelytsya, S., Vasiliu, T., Aatto Laaksonen., Engelbrecht, L. D. V., Brancato, G., & Mocci, F
Journal of Molecular Liquids, 122828, 2023.
- DOI: 10.1016/j.molliq.2023.122828