Target of research: multidomain flexible proteins, and ice-shaping proteins. Development of new computational methods and algorithms to determine, by molecular dynamic simulations, the NMR spectra of flexible and intrinsically disordered proteins. Development of code and modules for GROMACS, and other computational framework for biophysics. In-silico thermodynamic properties of liquids as measured by molecular dynamic simulations. Ab-initio protein structure determination by using computational tools and Small Angle X-ray Scattering.
Moreno Marcellini is a post-doc scientist at the university Claude Bernard Lyon1 since September 2018, in the group of Biophysics of complex systems led by Dr O. Walker at the Institut des Sciences Analytiques (UMR5280 CNRS Université Lyon1). He started his carrier at the University of Uppsala (Sweden) under the supervison of Prof. B. Horvarsson in the field of magnetic phase transitions in two dimensional superlattices. He continued his carreer at the University of Uppsala with a first post-doc at the Department of Photomolecular Chemistry with Prof. J. Davidsson studying photochemical reactions seen by Time Resolved Wide Angle X-ray Scattering (TR-WAXS), followed by a second at the Department of Chemistry – Angstrom where he continued his work on protein unfolding investigated by Time Resolved Small Angle X-ray Scattering (TR-SAXS) and molecular dynamic simulation. He then moved to the Department of Cell and Molecular Biology, Computational Biology and Bioinformatics with Prof. D. van der Spoel where he contributed to new methods to guide molecular dynamic simulation versus TR-SAXS and and ab-initio protein structure determinations. On 2014 he moved to France at the Ceramic Synthesis and Functionalization Laboratory – UMR CNRS 3080 working as post-doc with Dr S. Deville on the freezing process of Zirconium Acetate water solutions, and colloidal suspensions by using Laser Scanning Confocal Microscopy. He also joined, as associated researcher, the Department of Physics of the University of Bourgogne-Franche Comte where he continued the development of computational methods applied to protein structures.
- Moreno Marcellini, Minh-Ha Nguyen, Marie Martin, Maggy Hologne, Olivier Walker. Accurate Prediction of Protein NMR Spin Relaxation by Means of Polarizable Force Fields. Application to Strongly Anisotropic Rotational Diffusion. Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (25), pp.5103-5112. ⟨10.1021/acs.jpcb.0c01922⟩. ⟨hal-03026991⟩
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