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Scientific plan - Overview of the research projects in BioMat4CAST
RESEARCH PROJECTS
Project 5. BioMat4CAST Commissioned Subprojects (BioMat4CAST-CsP)
Team Members
| Leader |
Dr Mariana Pinteala |
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| Computational Team |
Dr. Tudor Vasiliu, Dr Dragos Lucian Isac, Prof. Andrei Neamtu, PhD student Razvan-Cristian Puf, PhD student Narcis Iulian Cibotariu.
Possible future junior/senior staff to be recruited. |
Experimental Support for the Computational Team
| Dr. Bogdan Florin Craciun, Dr. Mihaela Silion, Dr. Dragos Peptanariu, Dr. Adina Coroaba |
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Instructors/trainers
| Prof. Claudiu Supuran (Florence University, Italy) |
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| Dr. Marc Baaden (Laboratoire de Biochimie Théorique CNRS, France) |
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| Prof. Francesca Mocci (Cagliari University, Italy) |
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| Prof. Leif Eriksson (Gothenburg University, Sweden) |
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Objectives
| Training the computational team and the team of experimentalists in conducting research synergistically. This requires both “in silico” and “in wet” experimentalists to fruitfully communicate, being able to explain the information that can be acquired by their techniques, and finding how the “in silico” and “in wet” results can be combined to validate each other and to explain the physical phenomena of interest. While in the other projects the computational studies can be carried out with the support of literature data and experimentalist’s data outside the ICMPP, the research activities carried in this project requires the combination of experiments and computations within the staff of BioMat4CAST and/or with that of the trainers and specialists included in the project. |
Project Organization
A part of the BioMat4CAST activities will be performed within research sub-projects proposed by ICMPP researchers that have questions that can be answered by molecular modelling. These sub-projects will be carefully chosen in order to conduct simultaneously investigations at the “wet lab” and “in silico scale”, therefore maximizing synergies and generating innovative research and outcomes. By doing this, we aim to replicate the techniques used by the experimentalists and, if feasible, improve the experimental procedures based on the in-silico studies and the computational models based on the experimental results.
We approach the interaction between different complex systems from the other subproject and the cellular membrane from two directions.
Step 1: Training of the involved researchers.
• To train the staff to optimally combine the computational and experimental techniques, during the periodic meeting, a member of the computational team and a member of the team of experimentalist will present a research study, from the literature of from their own research activity, where the techniques they have experience in are used in combination with molecular modelling techniques, highlighting how the experimental and computational results are qualitatively and/or quantitatively combined.
Step 2: Selection of the research topics.
• The selection of the topics within Project 5 will be reliant upon the strategic significance of the subject area and the availability of the team’s expertise and resources for its implementation. The BioMat4CAST team will continuously establish a list of these requested issues for evaluation and discussion. Input from the IAB and other team collaborators will also be considered.
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