Mme Elisa FrezzaLecturer Paris UniversityCiTCoM
My research activities deal with theoretical and computational approaches to address problems that concern a large community, from material science up to biology. My research is interdisciplinary, at the interface between physics, chemistry, biology and informatics and can involve different length scales (from the molecular to the meso and the macro scale). Based on the problem and its length scale, I use and develop different theoretical and computational methods and models (for example, statistical mechanics theory or molecular dynamics). My principal research axes are:
- Modeling of proteins and nucleic acids and their interactions
- Development of coarse-grain models
- Use of normal mode analysis in internal coordinates for the study of large conformational changes of macromolecules
- Modeling of the propagation of chirality in self-assembling systems
- Richard Lavery, team Modélisation des Macromolécules Biologiques, MMSB, Lyon (Link Team)
- Alberta Ferrarini, University of Padova, Italy
Biophysics and molecular modeling for Pharmaceutical Science
- Jourdi, G et al.(2021)Induced forms of α2-macroglobulin neutralize heparin and direct oral anticoagulant effects. Int J Biol Macromol 184 :209-217.
- Carzaniga, T et al.(2021)A Bit Stickier, a Bit Slower, a Lot Stiffer: Specific vs. Nonspecific Binding of Gal4 to DNA. Int J Mol Sci 22 (8):.
- Cirauqui Diaz, N, Frezza, E, Martin, J(2021)Using normal mode analysis on protein structural models. How far can we go on our predictions?. Proteins 89 (5):531-543.
- Glavier, M et al.(2020)Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex. Nat Commun 11 (1):4948.
- Frezza, E, Amans, TM, Martin, J(2020)Allosteric Inhibition of Adenylyl Cyclase Type 5 by G-Protein: A Molecular Dynamics Study. Biomolecules 10 (9):.
- Meneghin, E et al.(2020)Biomimetic Nanoarchitectures for Light Harvesting: Self-Assembly of Pyropheophorbide-Peptide Conjugates. J Phys Chem Lett 11 (19):7972-7980.
- Frezza, E, Courban, A, Allouche, D, Sargueil, B, Pasquali, S(2019)The interplay between molecular flexibility and RNA chemical probing reactivities analyzed at the nucleotide level via an extensive molecular dynamics study. Methods 162-163 :108-127.
- Frezza, E, Lavery, R(2019)Internal Coordinate Normal Mode Analysis: A Strategy To Predict Protein Conformational Transitions. J Phys Chem B 123 (6):1294-1301.
- Frezza, E, Martin, J, Lavery, R(2018)A molecular dynamics study of adenylyl cyclase: The impact of ATP and G-protein binding. PLoS One 13 (4):e0196207.
- Biscaglia, F, Frezza, E, Zurlo, E, Gobbo, M(2016)Linker dependent chirality of solvent induced self-assembled structures of porphyrin-α-helical peptide conjugates. Org Biomol Chem 14 (40):9568-9577.
- De Gregorio, P, Frezza, E, Greco, C, Ferrarini, A(2016)Density functional theory of nematic elasticity: softening from the polar order. Soft Matter 12 (23):5188-98.
- Frezza, E, Lavery, R(2015)Internal Normal Mode Analysis (iNMA) Applied to Protein Conformational Flexibility. J Chem Theory Comput 11 (11):5503-12.
- Kolli, HB et al.(2014)Self-assembly of hard helices: a rich and unconventional polymorphism. Soft Matter 10 (41):8171-87.
- Frezza, E, Ferrarini, A, Kolli, HB, Giacometti, A, Cinacchi, G(2014)Left or right cholesterics? A matter of helix handedness and curliness. Phys Chem Chem Phys 16 (30):16225-32.
- Kolli, HB et al.(2014)Communication: from rods to helices: evidence of a screw-like nematic phase. J Chem Phys 140 (8):081101.
- Greco, C, Marini, A, Frezza, E, Ferrarini, A(2014)From the molecular structure to spectroscopic and material properties: computational investigation of a bent-core nematic liquid crystal. Chemphyschem 15 (7):1336-44.
- Frezza, E, Ferrarini, A, Kolli, HB, Giacometti, A, Cinacchi, G(2013)The isotropic-to-nematic phase transition in hard helices: theory and simulation. J Chem Phys 138 (16):164906.
- Frezza, E, Pieraccini, S, Mazzini, S, Ferrarini, A, Spada, GP(2012)The interplay of configuration and conformation in helical perylenequinones: Insights from chirality induction in liquid crystals and calculations. Beilstein J Org Chem 8 :155-63.