Mme Elisa Frezza

Lecturer University Paris CitéCiTCoM
Tel :: Number

Biographical Info

After a master’s degree in materials science at the University of Padua (Italy) in 2010, I continued my studies with a PhD at the Department of Chemical Sciences of the University of Padua under the supervision of Prof. Ferrarini, where I studied soft matter problems from a physical and theoretical chemistry point of view (e.g., the properties of liquid-crystalline phases constituted by double-stranded nucleic acid oligomers). During my postdoctoral fellowship (2014-2017) conducted at the MMSB CNRS UMR 5086/Université Claude Bernard Lyon 1 laboratory, under the supervision of Dr. Lavery, I dealt with biophysics and structural biology topics. Since September 2017, I am a lecturer at the Faculty of Pharmacy within the CiTCoM unit. My research activities focus on theoretical and computational studies of problems of interest to a broad community, from materials science to biology (e.g., mean-field theories, all-atom and coarse-grained molecular dynamics simulations, development of coarse-grained models, analysis of normal modes in internal coordinates, sampling methods, quantum chemical calculations). I deal with complex projects, requiring different methodologies, in collaboration with several teams of experimentalists and theoreticians. My research is thus interdisciplinary, at the interface between physics, chemistry, biology, and computer science, and spans on several scales (from the molecular scale to the meso and macro scale). Depending on the problem and the scale of the study, I develop and/or use different theoretical models and computational methods.

Research :

  • Modelling of proteins and nucleic acids and their interactions – In collaboration with Dr. J. Martin (MMSB, Lyon);
  • Development of coarse-grained models for biomacromolecules;
  • Development and exploitation of normal mode analysis in internal coordinates to study large conformational changes in biomacromolecules;
  • Chirality modeling at different scales – In collaboration with the team of Pr A. Ferrarini (University of Padova)
  • Integration of experimental data at different scales
  • Study of the relationship between the structural properties of nucleic acids and water dynamics – In collaboration with Dr E. Duboué-Dijon (UPR 9080, Paris) and Dr D. Laage (UMR 8640 Pasteur, ENS Chimie)
  • Study of the NSP13 helicase of SARS-CoV-2 – In collaboration with the teams of Dr E. Rosta (UCL, London), Dr S. Harris (University of Leeds) and Dr G. Wells (UCL, London)

Expertise :

  • Molecular modelling
  • Physical chemistry
  • Structural biology
  • Bioinformatics
  • Statistical mechanics



35 documents

Journal articles

  • Elisa Frezza, Damien Laage, Elise Duboué-Dijon. Molecular Origin of Distinct Hydration Dynamics in Double Helical DNA and RNA Sequences. Journal of Physical Chemistry Letters, 2024, pp.4351-4358. ⟨10.1021/acs.jpclett.4c00629⟩. ⟨hal-04548404⟩
  • Afra Sabei, Talissa Gabriele Caldas Baia, Raphaël Saffar, Juliette Martin, Elisa Frezza. Internal Normal Mode Analysis Applied to RNA Flexibility and Conformational Changes. Journal of Chemical Information and Modeling, 2023, 63 (8), pp.2554-2572. ⟨10.1021/acs.jcim.2c01509⟩. ⟨hal-04213451⟩
  • Siri van Keulen, Juliette Martin, Francesco Colizzi, Elisa Frezza, Daniel Trpevski, et al.. Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain. WIREs Computational Molecular Science, 2022, ⟨10.1002/wcms.1623⟩. ⟨hal-03695888⟩
  • Juliette Martin, Elisa Frezza. A dynamical view of protein-protein complexes: studies by molecular dynamics simulations. Frontiers in Molecular Biosciences, 2022, 9, pp.970109. ⟨10.3389/fmolb.2022.970109⟩. ⟨hal-03848262⟩
  • Liuba Mazzanti, Lina Alferkh, Elisa Frezza, Samuela Pasquali. Biasing RNA Coarse-Grained Folding Simulations with Small-Angle X-ray Scattering Data. Journal of Chemical Theory and Computation, 2021, 17 (10), pp.6509-6521. ⟨10.1021/acs.jctc.1c00441⟩. ⟨hal-03408552⟩
  • Dénes Berta, Magd Badaoui, Sam Alexander Martino, Pedro Buigues, Andrei Pisliakov, et al.. Modelling the active SARS-CoV-2 helicase complex as a basis for structure-based inhibitor design. Chemical Science, 2021, 12 (40), pp.13492-13505. ⟨10.1039/D1SC02775A⟩. ⟨hal-03388811⟩
  • Georges Jourdi, Johan Abdoul, Virginie Siguret, Xavier Decleves, Elisa Frezza, et al.. Induced forms of α2-macroglobulin neutralize heparin and direct oral anticoagulant effects. International Journal of Biological Macromolecules, 2021, 184, pp.209-217. ⟨10.1016/j.ijbiomac.2021.06.058⟩. ⟨hal-03892838⟩
  • Thomas Carzaniga, Giuliano Zanchetta, Elisa Frezza, Luca Casiraghi, Luka Vanjur, et al.. A Bit Stickier, a Bit Slower, a Lot Stiffer: Specific vs. Nonspecific Binding of Gal4 to DNA. International Journal of Molecular Sciences, 2021, 22 (8), pp.3813. ⟨10.3390/ijms22083813⟩. ⟨hal-03192237⟩
  • Nuria Cirauqui Diaz, Elisa Frezza, Juliette Martin. Using normal mode analysis on protein structural models. How far can we go on our predictions?. Proteins - Structure, Function and Bioinformatics, 2021, 89 (5), pp.531-543. ⟨10.1002/prot.26037⟩. ⟨hal-03106071⟩
  • Grégoire de Bisschop, Delphine Allouche, Elisa Frezza, Benoît Masquida, Yann Ponty, et al.. Progress Toward SHAPE Constrained Computational Prediction of Tertiary Interactions in RNA Structure. Non-Coding RNA, 2021, 7 (4), pp.71. ⟨10.3390/ncrna7040071⟩. ⟨hal-03413594⟩
  • Elisa Rossi, Alexandre Kauskot, François Saller, Elisa Frezza, Sonia Poirault-Chassac, et al.. Endoglin Is an Endothelial Housekeeper against Inflammation: Insight in ECFC-Related Permeability through LIMK/Cofilin Pathway. International Journal of Molecular Sciences, 2021, 22 (16), pp.8837. ⟨10.3390/ijms22168837⟩. ⟨hal-03388849⟩
  • Marie Glavier, Dhenesh Puvanendran, Dimitri Salvador, Marion Decossas, Gilles Phan, et al.. Antibiotic export by MexB multidrug efflux transporter is allosterically controlled by a MexA-OprM chaperone-like complex. Nature Communications, 2020, 11 (1), ⟨10.1038/s41467-020-18770-5⟩. ⟨hal-03006629⟩
  • Elisa Frezza, Tina-Méryl Amans, Juliette Martin. Allosteric Inhibition of Adenylyl Cyclase Type 5 by G-Protein: A Molecular Dynamics Study. Biomolecules, 2020, 10 (9), pp.1330. ⟨10.3390/BIOM10091330⟩. ⟨hal-02988410⟩
  • Elena Meneghin, Francesca Biscaglia, Andrea Volpato, Luca Bolzonello, Danilo Pedron, et al.. Biomimetic Nanoarchitectures for Light Harvesting: Self-Assembly of Pyropheophorbide-Peptide Conjugates. Journal of Physical Chemistry Letters, 2020, 11 (19), pp.7972-7980. ⟨10.1021/acs.jpclett.0c02138⟩. ⟨hal-03189824⟩
  • Elisa Frezza, Tina-Méryl Amans, Juliette Martin. Allosteric Inhibition of Adenylyl Cyclase Type 5 by G-Protein: A Molecular Dynamics Study. Biomolecules, 2020, 10 (9), pp.1330. ⟨10.3390/biom10091330⟩. ⟨hal-03106057⟩
  • Samuela Pasquali, Elisa Frezza, F. Barroso da Silva. Coarse-grained dynamic RNA titration simulations. Interface Focus, 2019, 9 (3), pp.20180066. ⟨10.1098/rsfs.2018.0066⟩. ⟨hal-03189827⟩
  • Elisa Frezza, Antoine Courban, Delphine M Allouche, Bruno Sargueil, Samuela Pasquali. The interplay between molecular flexibility and RNA chemical probing reactivities analyzed at the nucleotide level via an extensive molecular dynamics study. Methods, 2019, 162-163, pp.108-127. ⟨10.1016/j.ymeth.2019.05.021⟩. ⟨hal-02387476⟩
  • Elisa Frezza, Richard Lavery. Internal Coordinate Normal Mode Analysis: A Strategy To Predict Protein Conformational Transitions. Journal of Physical Chemistry B, 2019, 123 (6), pp.1294-1301. ⟨10.1021/acs.jpcb.8b11913⟩. ⟨hal-03189829⟩
  • Elisa Frezza, Juliette Martin, Richard Lavery. A molecular dynamics study of adenylyl cyclase: The impact of ATP and G-protein binding. PLoS ONE, 2018, 13 (4), pp.e0196207. ⟨10.1371/journal.pone.0196207⟩. ⟨hal-02344727⟩
  • Cristiano de Michele, Giuliano Zanchetta, Tommaso Bellini, Elisa Frezza, Alberta Ferrarini. Hierarchical Propagation of Chirality through Reversible Polymerization: The Cholesteric Phase of DNA Oligomers. ACS Macro Letters, 2016, 5 (2), pp.208-212. ⟨10.1021/acsmacrolett.5b00579⟩. ⟨hal-03332535⟩
  • Paolo de Gregorio, Elisa Frezza, Cristina Greco, Alberta Ferrarini. Density functional theory of nematic elasticity: softening from the polar order. Soft Matter, 2016, 12 (23), pp.5188-5198. ⟨10.1039/C6SM00624H⟩. ⟨hal-03408429⟩
  • Francesca Biscaglia, Elisa Frezza, Enrico Zurlo, Marina Gobbo. Linker dependent chirality of solvent induced self-assembled structures of porphyrin–α-helical peptide conjugates. Organic & Biomolecular Chemistry, 2016, 14 (40), pp.9568-9577. ⟨10.1039/C6OB01633B⟩. ⟨hal-03189834⟩
  • Elisa Frezza, Richard Lavery. Internal Normal Mode Analysis (iNMA) Applied to Protein Conformational Flexibility. Journal of Chemical Theory and Computation, 2015, 11 (11), pp.5503-5512. ⟨10.1021/acs.jctc.5b00724⟩. ⟨hal-03332373⟩
  • Cristina Greco, Alberto Marini, Elisa Frezza, Alberta Ferrarini. From the Molecular Structure to Spectroscopic and Material Properties: Computational Investigation of a Bent-Core Nematic Liquid Crystal. ChemPhysChem, 2014, 15 (7), pp.1336-1344. ⟨10.1002/cphc.201301030⟩. ⟨hal-03332019⟩
  • Elisa Frezza, Alberta Ferrarini, Hima Bindu Kolli, Achille Giacometti, Giorgio Cinacchi. Left or right cholesterics? A matter of helix handedness and curliness. Physical Chemistry Chemical Physics, 2014, 16 (30), pp.16225-16232. ⟨10.1039/C4CP01816H⟩. ⟨hal-03332036⟩
  • Hima Bindu Kolli, Elisa Frezza, Giorgio Cinacchi, Alberta Ferrarini, Achille Giacometti, et al.. Self-assembly of hard helices: a rich and unconventional polymorphism. Soft Matter, 2014, 10 (41), pp.8171-8187. ⟨10.1039/C4SM01305K⟩. ⟨hal-03332030⟩
  • Elisa Frezza, Alberta Ferrarini, Hima Bindu Kolli, Achille Giacometti, Giorgio Cinacchi. The isotropic-to-nematic phase transition in hard helices: Theory and simulation. Journal of Chemical Physics, 2013, 138 (16), pp.164906. ⟨10.1063/1.4802005⟩. ⟨hal-03192225⟩
  • M. Ilk Capar, A. Nar, A. Ferrarini, Elisa Frezza, C. Greco, et al.. Molecular structure and elastic properties of thermotropic liquid crystals: Integrated molecular dynamics—Statistical mechanical theory vs molecular field approach. Journal of Chemical Physics, 2013, 138 (11), pp.114902. ⟨10.1063/1.4794920⟩. ⟨hal-03192221⟩
  • Elisa Frezza, Silvia Pieraccini, Stefania Mazzini, Alberta Ferrarini, Gian Piero Spada. The interplay of configuration and conformation in helical perylenequinones: Insights from chirality induction in liquid crystals and calculations. Beilstein Journal of Organic Chemistry, 2012, 8, pp.155-163. ⟨10.3762/bjoc.8.16⟩. ⟨hal-03192212⟩
  • Elisa Frezza, Fabio Tombolato, Alberta Ferrarini. Right- and left-handed liquid crystal assemblies of oligonucleotides: phase chirality as a reporter of a change in non-chiral interactions?. Soft Matter, 2011, 7 (19), pp.9291. ⟨10.1039/C1SM05472D⟩. ⟨hal-03192197⟩
  • Mirko Cestari, Elisa Frezza, Alberta Ferrarini, Geoffrey Luckhurst. Crucial role of molecular curvature for the bend elastic and flexoelectric properties of liquid crystals: mesogenic dimers as a case study. Journal of Materials Chemistry, 2011, 21 (33), pp.12303. ⟨10.1039/C1JM12233A⟩. ⟨hal-03192200⟩

Book sections

  • Giorgio Cinacchi, Alberta Ferrarini, Elisa Frezza, Achille Giacometti, Hima Bindu Kolli. Theory and Simulation Studies of Self-Assembly of Helical Particles. Li-Tang Yan. Self-Assembling Systems: Theory and Simulation, 13 (4), John Wiley & Sons, pp.53-84, 2016, 9781119113140. ⟨10.1002/9781119113171.ch3⟩. ⟨hal-03189832⟩

Preprints, Working Papers

  • Afra Sabei, Cécilia Hognon, Juliette Martin, Elisa Frezza. The dynamics of protein-RNA interfaces using all-atom molecular dynamics simulations. 2024. ⟨hal-04479270⟩
  • Liuba Mazzanti, Lina Alferkh, Elisa Frezza, Samuela Pasquali. Biasing RNA coarse-grained folding simulations with Small–Angle X–ray Scattering (SAXS) data. 2021. ⟨hal-03189821⟩
  • Elisa Frezza, Tina-Méryl Amans, Juliette Martin. Allosteric inhibition of adenylyl cyclase type 5 by G-protein: a molecular dynamics study. 2020. ⟨hal-02988423⟩