Publications

Benyettou, F., T. Prakasam, M. Khair, O. Abdullah, M. Lusi, H. Paterson, M. Alkaabi, et al. "Manganese-Templated Nontrivial Structures for MRI and Therapy." Journal of the American Chemical Society 148 (2026): 15529–15549.

Blavier, J., G. Esposito, J.-C. Twizere, and P. Percipalle. "Targeting Viral Complexes with mRNA-Encoded Nanobodies: A New Frontier for Antiviral Design." Drug Discovery Today 30 (2025): 1–10.

Arachchi, Maduni Paththuwe, Athira Subhash, Gafar Bamigbade, Basim Abu-Jdayil, Gennaro Esposito, Abdelmoneim Ali, Afaf Kamal-Eldin, and Mutamed Ayyash. "Prebiotic potential of Ceratonia siliqua polysaccharides: Ultrasound-assisted extraction enhances gut microbial diversity and metabolic activity." International Journal of Biological Macromolecules 311 (2025): 143757.

Battaglia, G., Y. Hunashal, S. Gopinadhan, H. H. Gan, Y. Moussa, F. S. Mohammed Refai, A. Amoresano, et al. "Assessing Acetyl-Coenzyme A Carboxylase Activity and Inhibition in Caenorhabditis elegans Using a Partially Purified Protein Extract." Analytical Chemistry 97 (2025): 18907–18917.

Hunashal, Y., G. Battaglia, F. S. Mohammed Refai, H. Zahreddine Fahs, K. C. Gunsalus, G. Esposito, and F. Piano. "Analytical Characterization and Biological Assay of Avocado Lipids with Nematocidal Activity." Food Chemistry 491 (2025): 145215.

Soler, Miguel Angel, Rayyan Bassem Adel Yakout, Ozge Ozkilinc, Gennaro Esposito, Walter Rocchia, Christian Klein, and Federico Fogolari. "Bluues_cplx: Electrostatics at Protein–Protein and Protein–Ligand Interfaces." Molecules 30, no. 1 (2025): 159.

Arachchi, Maduni Paththuwe, Athira Subhash, Gafar Bamigbade, Fatullah Hamed, Basim Abu-Jdayil, Benu Adhikari, Gennaro Esposito, Abdelmoneim Ali, Afaf Kamal-Eldin, and Mutamed Ayyash. "Physicochemical properties and biofunctional activities of polysaccharides from carob (ceratonia siliqua) pod by microwave-assisted deep eutectic solvent extraction and its effects on human gut microbiota." Food Hydrocolloids 162 (2025): 110999.

Fahs, H. Z., F. S. Refai, S. Gopinadhan, Y. Moussa, H. H. Gan, Y. Hunashal, G. Battaglia, et al. "A New Class of Natural Anthelmintics Targeting Lipid Metabolism." Nature Communications 16 (2025): 305–319.

Venit, T., J. Blavier, S. B. Maseko, S. Shu, L. Espada, C. Breunig, H.-P. Holthoff, et al. "Nanobodies Against SARS-CoV-2 Non-structural Protein Nsp9 Inhibit Viral Replication." Molecular Therapy - Nucleic Acids 35 (2024): 102304.

Esposito, Gennaro, Yamanappa Hunashal, Mathias Percipalle, Federico Fogolari, Tomas Venit, Ainars Leonchiks, Kristin C. Gunsalus, Fabio Piano, and Piergiorgio Percipalle. "Assessing nanobody interaction with SARS-CoV-2 Nsp9." Plos one 19, no. 5 (2024): e0303839.

Fogolari, Federico, Roberto Borelli, Agostino Dovier, and Gennaro Esposito. "The k th nearest neighbor method for estimation of entropy changes from molecular ensembles." Wiley Interdisciplinary Reviews: Computational Molecular Science 14, no. 1 (2024): e1691.

Kumar, Manjeet, Cristina Cantarutti, David C. Thorn, Vittorio Bellotti, Gennaro Esposito, Mark R. Wilson, Heath Ecroyd, and John A. Carver. "The extracellular chaperone clusterin prevents primary and secondary nucleation of an amyloidogenic variant of ß2-microglobulin." Australian Journal of Chemistry 76, no. 10 (2023): 696-708.

Ali, Abdelmoneim H., Gafar Bamigbade, Mohammed Tarique, Gennaro Esposito, Reyad Obaid, Basim Abu-Jdayil, and Mutamed Ayyash. "Physicochemical, rheological, and bioactive properties of exopolysaccharide produced by a potential probiotic Enterococcus faecalis 84B." International Journal of Biological Macromolecules 240 (2023): 124425.

Soler, M. A., O. Ozkilinc, Y. Hunashal, P. Giannozzi, G. Esposito, and F. Fogolari. "Molecular Electrostatics pKa Shifts Calculations with the Generalized Born Model. A Tutorial Through Examples with Bluues2." Computer Physics Communications 287 (2023): 108716.

Al-Nabulsi, Anas A., Ziad W. Jaradat, Farah R. Al Qudsi, Lina Elsalem, Tareq M. Osaili, Amin N. Olaimat, Gennaro Esposito, Shao-Quan Liu, and Mutamed M. Ayyash. "Characterization and bioactive properties of exopolysaccharides produced by Streptococcus thermophilus and Lactobacillus bulgaricus isolated from labaneh." Lwt 167 (2022): 113817.

Hunashal, Y., M. Percipalle, T. Molnar, J. Kardos, P. Percipalle, and G. Esposito. "Approaching Protein Aggregation and Structural Dynamics by Equilibrium and Non-equilibrium Paramagnetic Perturbation." Analytical Chemistry 94 (2022): 10949–10958.

Cantarutti, C., Y. Hunashal, C. La Rosa, M. Condorelli, S. Giorgetti, V. Bellotti, F. Fogolari, and G. Esposito. "The Corona of Protein-Gold Nanoparticle Systems: The Role of Ionic Strength." Physical Chemistry Chemical Physics 24 (2022): 1630–1637.

Esposito, G., Y. Hunashal, M. Percipalle, T. Venit, M. M. Dieng, F. Fogolari, G. Hassanzadeh, et al. "NMR-Based Analysis of Nanobodies to SARS-CoV-2 Nsp9 Reveals a Possible Antiviral Strategy Against COVID-19." Advanced Biology 5 (2021): 2101113.

Fogolari, Federico, and Gennaro Esposito. "Optimal relabeling of water molecules and single-molecule entropy estimation." Biophysica 1, no. 3 (2021): 279-296.

Palanikumar, L., L. Karpauskaite, M. Al Sayegh, I. Chehade, M. Alam, S. Hassan, D. Maity, et al. "Protein Mimetic Amyloid Inhibitor Potently Abrogates Cancer-Associated Mutant p53 Aggregation and Restores Tumor Suppressor Function." Nature Communications 12 (2021): 3962.

Carver, J. A., G. Esposito, P. Viglino, F. Fogolari, G. Guichard, J.-P. Briand, M. H. V. Van Regenmortel, F. Brown, and P. Mascagni. "Structural Comparison Between Retro-Inverso and Parent Peptides. Molecular Basis for the Biological Activity of a Retro-Inverso Analogue of the Immunodominant Fragment of VP1 Coat Protein from Foot-and-Mouth Disease Virus." Biopolymers 41 (1997): 569–590.

Esposito, G., B. Dhanapal, P. Dumy, V. Varma, M. Mutter, and G. Bodenhausen. "Lysine as Helix C-Capping Residue in a Synthetic Peptide." Biopolymers 41 (1997): 27–35.

Esposito, G., F. Fogolari, G. Damante, S. Formisano, G. Tell, A. Leonardi, R. Di Lauro, and P. Viglino. "Hydrogen-Deuterium Exchange Studies of the Rat Thyroid Transcription Factor 1 Homeodomain." Journal of Biomolecular NMR 9 (1997): 397–407.

Fogolari, F., A. H. Elcock, G. Esposito, P. Viglino, J. M. Briggs, and J. A. McCammon. "Electrostatics in the Homeodomain-DNA Interaction." Journal of Molecular Biology 267 (1997): 368–381.

Molinari, H., G. Esposito, M. Pegna, L. Ragona, N. Niccolai, R. M. Brunne, A. M. Lesk, and L. Zetta. "Probing Protein Structure by Solvent Perturbation of NMR Spectra: The Surface Accessibility of BPTI." Biophysical Journal 73 (1997): 382–396.

Damante, G., L. Pellizzari, G. Esposito, F. Fogolari, P. Viglino, D. Fabbro, G. Tell, S. Formisano, and R. Di Lauro. "A Molecular Code Dictates Sequence-Specific Recognition by Homeodomains." The EMBO Journal 15 (1996): 4992–5000.

Dumy, P., I. M. Eggleston, G. Esposito, S. Nicula, and M. Mutter. "Solution Structure of Regioselectively Addressable Functionalized Templates (RAFT): An NMR and Restrained Molecular Dynamics Approach." Biopolymers 39 (1996): 297–308.

Esposito, G., F. Fogolari, G. Damante, S. Formisano, G. Tell, A. Leonardi, R. Di Lauro, and P. Viglino. "Analysis of the Solution Structure of the Rat Thyroid Transcription Factor 1 Homeodomain by 1H NMR Spectroscopy and Restrained Molecular Mechanics." European Journal of Biochemistry 241 (1996): 101–113.

Fedrigo, M., G. Esposito, S. Cattarinussi, P. Viglino, and F. Fogolari. "Using Autocorrelation-Like Function in Order to Improve Performances of Linear Prediction Parameter Estimators." Journal of Magnetic Resonance, Series A 121 (1996): 97–104.

Fedrigo, M., F. Fogolari, P. Viglino, and G. Esposito. "Improved Processing of Selective NMR Spectra of Biopolymers by Separation of Noise and Signal Subspaces Through Singular Value Decomposition." Journal of Magnetic Resonance, Series B 113 (1996): 160–166.

Fogolari, F., G. Esposito, S. Cattarinussi, and P. Viglino. "Quantitative analysis of total correlation spectra: Application to small biomolecules." Concepts in Magnetic Resonance 8, no. 4 (1996): 229-251.

Fogolari, Federico, Gennaro Esposito, Paolo Viglino, and Serge Cattarinussi. "Modeling of polypeptide chains as C alpha chains, C alpha chains with C beta, and C alpha chains with ellipsoidal lateral chains." Biophysical Journal 70, no. 3 (1996): 1183-1197.

Scarselli M., G. Esposito, H. Molinari, L. Ragona, L. Zetta, and N. Niccolai. “Solvent spin-labelling for NMR investigations of protein folding”. Trends Chem. Phys., 4, 99-110, 1996.

Fedrigo, M., G. Esposito, S. Cattarinussi, P. Viglino, and F. Fogolari. "Use of autocorrelation-like function to improve the performance of linear-prediction parameter estimators." Journal of Magnetic Resonance, Series A 121, no. 2 (1996): 97-107.

Carver, John A., Gennaro Esposito, Gabriele Schwedersky, and Matthias Gaestel. "1H NMR spectroscopy reveals that mouse Hsp25 has a flexible C-terminal extension of 18 amino acids." FEBS letters 369, no. 2-3 (1995): 305-310.

Dumy P., I.M. Eggleston, G. Esposito, S. Nicula and M. Mutter. “Conformational properties of cyclic peptide templates for protein design” in Electronic Conference on Trends in Organic Chemistry (ECTOC-1). H.S. Rzepa and J.M. Goodman, eds. (CD-ROM). Royal Society of Chemistry publications, London (UK) 1995.

Dumy P., I.M. Eggleston, G. Esposito, S. Nicula and M. Mutter. “Conformational studies of RAFT molecules for protein design” in Peptides: Chemistry, Structure and Biology, Kaumaya P.T.P. and Hodges R.S. (eds.) Mayflower Scientific Ltd., San Diego, CA (USA), 1995, pp. 605-606.

Fogolari F., M. Fedrigo, G. Esposito, S. Cattarinussi and P. Viglino. “Linear prediction and Prony's method for 2D nuclear magnetic resonance spectral parameter estimation”. Quart. Magn. Reson. Biol. Med., 2, 303-306, 1995.

Scarselli M., G. Esposito, H. Molinari, M. Pegna, L. Zetta and N. Niccolai. “The use of paramagnetic probes for NMR investigations of biomolecular structures and interactions” in From Neural networks and biomolecular engineering to bioelectronics Niccolini C. Ed., Plenum Press, New York, 1995, pp. 95-102.

Esposito G., A.M. Lesk, H. Molinari, A. Motta, N. Niccolai and A. Pastore. “Probing protein structure by solvent perturbation of  NMR spectra. III. Combination of Experiment and Theory”  in Protein Structure by Distance Analysis, Bohr H. and Brunak F. eds, pp. 51-63, IOS Press, Amsterdam, 1994.                                

Pfuhl M., F. Fogolari, G. Esposito, P. Viglino and A. Pastore. “A 3D experiment to observe collective modes”. Quart. Magn. Reson. Biol. Med., 1, 53-60, 1994.

Viglino, Paolo, Federico Fogolari, Silvestro Formisano, Nadia Bortolotti, Giuseppe Damante, Roberto Di Lauro, and Gennaro Esposito. "Structural study of rat thyroid transcription factor 1 homeodomain (TTF-1 HD) by nuclear magnetic resonance." FEBS letters 336, no. 3 (1993): 397-402.
First NMR structure of a protein obtained in Italy

Fogolari, Federico, Serge Cattarinussi, Gennaro Esposito, and Paolo Viglino. "Free energies calculated according to Manning's polyelectrolyte model compared with Poisson Boltzmann predictions." Journal of Biomolecular Structure and Dynamics 11, no. 3 (1993): 629-635.

Esposito, Gennaro, Federico Fogolari, Paolo Viglino, Serge Cattarinussi, Maria Teresa de Magistris, Lorella Chiappinelli, and Antonello Pessi. "Conformational study of a short Pertussis toxin T cell epitope incorporated in a multiple antigen peptide template by CD and two‐dimensional NMR: Analysis of the structural effects on the activity of synthetic immunogens." European journal of biochemistry 217, no. 1 (1993): 171-187.

Esposito, Gennaro, Henriette Molinari, Monica Pegna, Neri Niccolai, and Lucia Zetta. "A 1 H NMR study on the interaction of aminoxyl paramagnetic probes with unfolded peptides." Journal of the Chemical Society, Perkin Transactions 2 8 (1993): 1531-1534.

Fogolari, F., G. Esposito, P. Viglino, G. Damante, and A. Pastore. "Homology model building of the thyroid transcription factor 1 homeodomain." Protein Engineering, Design and Selection 6, no. 5 (1993): 513-519.

Esposito, Gennaro, Arthur M. Lesk, Henriette Molinari, Andrea Motta, Neri Niccolai, and Annalisa Pastore. "Probing protein structure by solvent perturbation of NMR spectra. II. Determination of surface and buried residues in homologous proteins." Biopolymers: Original Research on Biomolecules 33, no. 5 (1993): 839-846.

Fogolari, F., G. Esposito, S. Cauci, and P. Viglino. "Evaluation of J coupling constants from peak amplitudes of total correlation spectra." Journal of Magnetic Resonance, Series A 102, no. 1 (1993): 49-57.

Esposito, G., F. Fogolari, H. Molinari, M. Pegna, and L. Zetta. "Proton strong coupling in heteronuclear systems. Theoretical and experimental evaluation in quantitative analysis of SQC NOESY spectra of biopolymers." Journal of Magnetic Resonance, Series B 101, no. 3 (1993): 240-247.

Esposito, Gennaro, Sabina Cauci, Federico Fogolari, Enzo Alessio, Marco Scocchi, Franco Quadrifoglio, and Paolo Viglino. "NMR structural characterization of the reaction product between d (GpG) and the octahedral antitumor complex trans-RuCl2 (DMSO) 4." Biochemistry 31, no. 31 (1992): 7094-7103.

Molinari, Henriette, Gennaro Esposito, Roberto Consonni, Monica Pegna, and Lucia Zetta. "Distance evaluation via heteronuclear SQC-NOESY experiments." Journal of Biomolecular NMR 2, no. 3 (1992): 289-299.

Chiessi, E., M. D'Alagni, G. Esposito, and E. Giglio. "Spectroscopic studies on the interaction between acridine orange and bile salts." Journal of inclusion phenomena and molecular recognition in chemistry 10, no. 4 (1991): 453-469.

Niccolai, Neri, Alessandra Bonci, Mauro Rustici, M. Scarselli, Paolo Neri, Gennaro Esposito, Paolo Mascagni, Andrea Motta, and Henríette Molinari. "NMR delineation of inner and outer protons from paramagnetic relaxation perturbations in 1 D and 2D spectra of peptides." Journal of the Chemical Society, Perkin Transactions 2 9 (1991): 1453-1457.

Cauci, Sabina, Paolo Viglino, Gennaro Esposito, and Franco Quadrifoglio. "Reaction of the octahedral antitumor complex trans-RuCl2 (DMSO) 4 with 2′ deoxyguanosine." Journal of inorganic biochemistry 43, no. 4 (1991): 739-751.

Esposito G., Mascagni P., Molinari H. and Niccolai N. "Structural NMR studies: from one to multidimensional frequency spectra" in NMR and Biomolecular Structure, Bertini I., Molinari  H. and Niccolai N. eds., VCH Publ., Weinheim 1991, pp. 1-30.

Niccolai, N., G. Esposito, M. Rustici, and P. Neri. "NMR studies of structure and dynamics of bio-organic systems." Hyperfine Interactions 61, no. 1 (1990): 1165-1178.

Esposito, G., A. Pessi, and A. S. Verdini. "1H‐nmr studies of synthetic polypeptide models of Plasmodium falciparum circumsporozoite protein tandemly repeated sequence." Biopolymers: Original Research on Biomolecules 28, no. 1 (1989): 225-246.

Esposito, Gennaro, William A. Gibbons, and Renzo Bazzo. "Phase coherence and solvent suppression in rotating-frame correlation experiments in liquids." Journal of Magnetic Resonance (1969) 80, no. 3 (1988): 523-527.

Esposito, Gennaro, Luigi Settembri, Giuseppe C. Viscomi, and Neri Niccolai. "The effect of chemical modification on the solution structure of derivatives of substance P: nuclear magnetic resonance study of substituted and retro-inverso analogues." Journal of the Chemical Society, Perkin Transactions 2 7 (1988): 1313-1318.

Esposito, Gennaro, and Annalisa Pastore. "An alternative method for distance evaluation from NOESY spectra." Journal of Magnetic Resonance (1969) 76, no. 2 (1988): 331-336.

Esposito, G., E. Giglio, N. V. Pavel, and A. Zanobi. "Size and shape of sodium deoxycholate micellar aggregates." Journal of Physical Chemistry 91, no. 2 (1987): 356-362.

Esposito, Gennaro, John A. Carver, Jonathan Boyd, and Iain D. Campbell. "High-resolution proton NMR study of the solution structure of alamethicin." Biochemistry 26, no. 4 (1987): 1043-1050.

Esposito, G., A. Zanobi, E. Giglio, N. V. Pavel, and I. D. Campbell. "Intermolecular interactions in sodium deoxycholate micelles: an NMR study involving a spin-labeled cholestane." Journal of Physical Chemistry 91, no. 1 (1987): 83-89.

Carver, J. A., R. M. Cooke, G. Esposito, I. D. Campbell, H. Gregory, and B. Sheard. "A high resolution 1H NMR study of the solution structure of human epidermal growth factor." FEBS letters 205, no. 1 (1986): 77-81.
First NMR structure obtained in UK

Bazzo R., Esposito G. and Pastore A. "Two dimensional techniques in proton NMR of proteins", Chimica Oggi, 1-2, 25-28, 1986.

Pedone C.,  Barone V., Benedetti E., Di Blasio B., Esposito G., Lelj Garolla F., Pavone V. and Lorenzi G.P. "Channel forming molecules. Conformation of peptides with alternating L and D residues as models of Gramicidin A" in Peptides - structure and function, Hruby V.J. and Rich D.H. eds., Pierce Chemical Co., Rockford, Illinois, 1983, pp. 473-476.

Bavoso A., Benedetti E., Di Blasio B., Pavone V., Pedone C., Barone V., Esposito G., Lelj F. and Lorenzi G.P.. "Conformational features of alternating L,D peptides" in Peptides1982, Blaha K. and Malon P.  eds.,W. De Gruyter, Berlin, 1983, pp. 699-704.

Esposito, Gennaro, Andrea Motta, and Piero A. Temussi. "Influence of the ionic environment on the conformation of aspartic acid and possible relevance to its neurotransmitter action." Journal of neurochemistry 40, no. 4 (1983): 903-907.

Esposito, Gennaro, Antonio Donesi, and Piero A. Temussi. "Conformational changes of aspartate induced by high salt concentrations." Advances in Molecular Relaxation and Interaction Processes 24, no. 1 (1982): 15-26.