• S. Muscat, S. Errico, A. Danani, F. Chiti, G. Grasso, “Leveraging Machine Learning-Guided Molecular Simulations Coupled with Experimental Data to Decipher Membrane Binding Mechanisms of Aminosterols”, submitted to Journal of Chemical Theory and Computation
  • F. Marquet, H. Hagen, M. Stanchieri, G. Grasso, A. Danani, V. Serre Beinier, G. Borchard, “Clickable Polyethyleneimine Incorporated into Triblock Copolymeric Micelles as an Efficient Platform in the Delivery of siRNA to NSCLC Cells”, International Journal of Pharmaceutics , 2024, Vol. 649, pp. 123632


  • S.S. Sahraoui , R. EL Phil, S. Cretton , M. Cuendet, S. Muscat, G. Grasso, A. Danani, S. Beilstein, P. Maeser, L. Scapozza, “Target deconvolutions strategies used in the discovery of new therapeutic targets for Sleeping sickness, Leshmaniasis, and Chagas diseases”, submitted to Frontiers in Tropical Diseases
  • F. Stojceski, A. Buetti-Dihn, M.J. Stoddart, A. Danani, G. Grasso, E. Della Bella, “Influence of Dexamethasone on the Interaction Between Glucocorticoid Receptor and SOX9: a Molecular Dynamics Study” , Journal of Molecular Graphics and Modelling, Volume 125, December 2023, 108587, DOI: 10.1016/j.jmgm.2023.108587
  • S. Muscat, G. Grasso, L. Scapozza, A. Danani, “In silico investigation of cytochrome bc1 molecular inhibition mechanism against Trypanosoma cruzi”, PLOS Neglected Tropical Disease, 2023, 17(1), e0010545, DOI: 10.1371/journal.pntd.0010545
  • B. Barletti, G. Lucchesi, S. Muscat, S. Errico, D. Barbut, A. Danani, M. A. Zasloff, G. Grasso, F. Chiti, G. Caminati, “Reorganization of the outer layer of a model of the plasma membrane induced by a neuroprotective aminosterol”, Colloids and surfaces B: Biointerfaces , 2023, 222, 113115 , DOI: 10.1016/j.colsurfb.2022.113115


  • M. Italia, A. Danani, F. Dercole, R. Ferri and M. Manconi, “The first in-silico Model of Leg Movement Activity During Sleep”, Chapter in book Computational Intelligence Methods for Bioinformatics and Biostatistic, DOI:10.1007/978-3-031-20837-9_4
  • F. Stojceski, A. Buetti-Dihn, M.J. Stoddart, A. Danani, G. Grasso, E. Della Bella, “Influence of Dexamethasone on the Interaction Between Glucocorticoid Receptor and SOX9: a Molecular Dynamics Study” , Authorea, June 07, 2022. DOI: 10.22541/au.165459066.66221119/v1
  • F. Marquet, F. Stojceskic, G. Grasso, V.Patrulea, A. Danani, G. Borchard, “Characterization of the interaction of polymeric micelles with siRNA: a combined experimental and molecular dynamics study”, Polymers, DOI: 10.3390/polym14204409
  • A. Castelnovo, J. Amacker, M. Maiolo, N. Amato, M. Pereno, S. Riccardi, A. Danani, S. Ulzega, M. Manconi, “High-density EEG power topography and connectivity during confusional arousal”, Cortex, Volume 155, October 2022, 62-74, DOI: 10.1016/j.cortex.2022.05.021
  • M. Italia, A. Danani, F. Dercole, R. Ferri and M. Manconi, “A Calibrated Model with a Single Generator Simulating Polysomnographically Recorded Periodic Leg Movements”, Journal of Sleep Research, DOI:10.1111/jsr.13567


  • E. Trofimenko, G. Grasso, M. Heulot, N. Chevalier, M. A Deriu, G. Dubuis, Y. Arribat, M. Serulla Llorens, S. Michel, G. Vantomme, F. Ory, J. Puyal, F. Amati, A. Lüthi, A. Danani, and C. Widmann, “Genetic, cellular and structural characterization of the membrane potential-dependent cell-penetrating peptide translocation pore”, eLife, 2021, 10, e69832, DOI:10.7554/eLife.69832
  • G. Grasso , A. Di Gregorio , B. Mavkov, D. Piga, G. Falvo D’Urso Labate, A. Danani, and M.A. Deriu, “Fragmented blind docking: a novel protein-ligand binding prediction protocol “, Journal of Biomolecular Structure and Dynamics, 2021 Oct 12;1-10, DOI: 10.1080/07391102.2021.1988709.
  • A. Rapallo, R. Gaspari , G. Grasso , A. Danani, “Extended Diffusion Theory: recovering dynamics from biased/accelerated molecular simulations”,  Journal of Computational Chemistry,  2021, 42(9), pp. 586–599, DOI: 10.1002/jcc.26474


  • M. Serulla, G. Ichim, F. Stojceski, G. Grasso, S. Afonin, T. Schober, R. Roth, C. Godefroy, P.E. Milhiet, K. Das, A.G. Saez, A. Danani and C. Widmann, “TAT-RasGAP 317-326 kills cells by targeting inner leaflet-enriched phospholipids”, PNAS , DOI: 10.1073/pnas.201410811
  • S. Errico, G. Lucchesi, D. Odino, S. Muscat, C. Capitini, C. Bugelli, C. Canale, R. Ferrando, G. Grasso, D. Barbut, M. Calamai, A. Danani, M. Zasloff, A. Realini, G. Caminati, M. Vendruscolo, F. Chiti, “Making biological membrane resistant to the toxicity of misfolded protein oligomers: a lesson from trodusquemine”, Nanoscale, 2020, 12, 22596-22614, DOI: 10.1039/D0NR05285J
  • G. Grasso, A. Danani, “Molecular Simulations of Amyloid Beta Assemblies “, Advances in Physics: X, 5:1, 1770627, DOI:10.1080/23746149.2020.1770627
  • S. Muscat, L. Pallante, F. Stojceski, A. Danani, G. Grasso, M. A. Deriu, “The Impact of Natural Compounds on S-Shaped Aβ42 Fibril: from Molecular Docking to Biophysical Characterization”, Int. J. Mol. Sci. (2020) 21, 2017; DOI: 10.3390/ijms21062017icona pdf
  • F. Stojcevski, G. Grasso, L. Pallante, A. Danani, “Molecular and Coarse-Grained Modelling to Characterize and Optimize Dendrimer-Based Nanocarriers for siRNA Delivery”, ACS Omega (2020) Feb 7;5(6): 2978-2986; DOI: 10.1021/acsomega.9b03908
  • S. Muscat, F. Stojcevski, A. Danani , “Elucidating the Effect of Static Electric Field on Amyloid Beta 1-42 Supramolecular Assembly”, Journal of Molecular Graphics and Modelling (2020) May; 96: 107535; DOI: 10.1016/j.jmgm.2020.107535


  • G. Grasso, S. Mercuri, A. Danani , M. A. Deriu, “Biofunctionalization of Silica Nanoparticles with Cell Penetrating Peptides: Adsorption Mechanism and Binding Energy Estimation”, J. Phys. Chem. B (2019) 123(50):10622-10630. DOI: 10.1021/acs.jpcb.9b08106.
  • S. Cruciani, G. Garroni, C. Ventura, A. Danani, A. Necas, M. Maioli, “Stem cells and physical energies: can we really drive stem cell fate?”, Physiological research (2019) Dec 30;68(Suppl 4):S375-S384; DOI: 10.33549/physiolres.934388
  • A. Della Bella, M. Müller, L. Soldati, A. Danani, R. Bettini, “Effect of lactose pseudopolymorphic transition on the aerosolization performance of drug/carrier mixtures”, Pharmaceutics (2019) Nov 4;11(11), DOI: 10.3390/pharmaceutics11110576 icona pdf
  • B. Formicola, R. Dal Magro, C. Montefusco-Pereira, C.M. Lehr, M. Koch, L. Russo, G. Grasso, M.A. Deriu, A. Danani, S. Bourdoulous, F. Re, “The synergistic effect of chlorotoxin-mApoE in boosting drug-loaded liposomes across the BBB”, J. Nanobiotechnology (2019) 17(1):115. DOI:10.1186/s12951-019-0546-3icona pdf
  • G.M. Randazzo, A. Bileck, A. Danani , B. Vogt, M. Grössl, “Improved steroid identification via deep learning retention time predictions and high-resolution GCxGC-MS”, J. Chromatography A (2019) Oct 28:460661. DOI: 10.1016/j.chroma.2019.460661
  • G. Grasso, L. Leanza, U. Morbiducci, A. Danani, M.A. Deriu, “Aminoacid Substitutions in the Glycine Zipper Affect the Conformational Stability of Amyloid Beta Fibrils”, Journal of Biomolecular Structure and Dynamics, September 2019, DOI: 10.1080/07391102.2019.1671224
  • G. Grasso, M. Rebella, U. Morbiducci, J. A. Tuszynski, A. Danani, M.A Deriu, “The Role of Structural Polymorphism in Driving the Mechanical Performance of the Alzheimer’s Beta Amyloid Fibrils”, Frontiers in Bioengineering and BiotechnologyApril 2019, DOI 10.3389/fbioe.2019.00083 icona pdf
  • R. Dal Magro, S. Simonelli, A. Cox , R. Corti , V. Cassina , L. Nardo , F. Mantegazza , G. Grasso , M.A. Deriu, A. Danani, L. Calabresi and F.Re, “The extent of human apolipoprotein A-I lipidation strongly affects the beta amyloid efflux across the blood-brain barrier in vitro”, Frontiers in Neuroscience, 2019, 13 (419), DOI: 10.3389/fnins.2019.00419 icona pdf
  • M. Gorzkiewicz, M.A. Deriu, M. Studzian, A. Janaszewska, G. Grasso, L. Pulaski, D. Appelhans, A. Danani, B. Klajnert-Maculewicz, “Fludarabine-specific molecular interactions with maltose-modified poly(propyleneimine) dendrimer enable effective cell entry of active drug form: comparison with clofarabine”, Biomacromolecules, 2019, 20 (3) 1429–1442


  • M. P. Antonovic​, M. Cannata, A. Danani, L. Engeler, E. Flacio, F. Mangili, D. Ravasi, D. Strigaro, M. Tonolla, “ALBIS: integrated system for risk-based surveillance of invasive mosquito Aedes albopictus”, PeerJ Preprints, October 2018, DOI: 10.7287/peerj.preprints.27251v1
  • M. A. Deriu, N. Tsapis, M. Noiray, G. Grasso, N. El Brahmi, S. Mignani, J.P. Majoral, E. Fattal, A. Danani, “Elucidating the role of surface chemistry on cationic phosphorus dendrimer–siRNA complexation”, Nanoscale, 2018, 10, 10952 – 10962 icona pdf
  • M. A. Deriu, G. Grasso, G. Licandro, and A. Danani, “Insights into adsorption of serum albumin onto carbon nanotubes by molecular modelling” in “Drug Delivery Nanosystems: From Bioinspiration and Biomimetics to Clinical Applications”, Pan Stanford Publishing (2018), Editors: Natassa Pippa, Costas Demetzos, Stergios Pispas, ISBN: 9789814774925
  • G. Grasso, S. Muscat, M. Rebella, A. Audenino, U. Morbiducci, A. Danani, M.A. Deriu, “Cell Penetrating Peptide Modulation of Membrane Biomechanics by Molecular Dynamics”, Journal of Biomechanics, May 2018, DOI: 10.1016/j.jbiomech.2018.03.036 icona pdf
  • F. Gentile, M.A. Deriu, K.H. Barakat, A. Danani and J. A. Tuszynski, “A Novel Interaction Between the TLR7 and a Colchicine Derivative Revealed Through a Computational and Experimental Study”, Pharmaceuticals, 2018, 11(1):22, DOI: 10.3390/ph11010022 icona pdf
  • B. Forbes, A. Danani, G. Borchard and S. Kassinos. “An update on the activities of European COST Action ‘SimInhale’, Inhalation Magazine, April 2018, Vol 12, No 2 icona pdf
  • G. Grasso, M. Rebella, S. Muscat, U. Morbiducci, J. A. Tuszynski, A. Danani, M.A Deriu, “Conformational Dynamics and Stability of U-Shaped and S-Shaped Amyloid Beta Oligomers”, International Journal of Molecular Sciences, February 2018, 19(2), DOI:10.3390/ijms19020571 icona pdf
  • G. Grasso, U. Morbiducci, J.A. Tuszynski, A. Danani, M.A. Deriu, “Destabilizing the AXH tetramer by intra- and inter-dimer mutations: from molecular mechanism to potential anti-aggregation strategies”, Biophysical Journal, 114 (2), P323-330, 2018, doi10.1016/j.bpj.2017.11.025 icona pdf


  • M.A. Deriu, M. Cangiotti, G. Grasso, G. Licandro, A. Lavasanifar, J.A. Tuszynski, M.F. Ottaviani, A. Danani,
    “Self-Assembled Ligands Targeting TLR7: A Molecular Level Investigation”, Langmuir (2017) 33 (50), 14460–14471, DOI 10.1021/acs.langmuir.7b03168
  • M.A. Deriu, G. Grasso, G. Licandro, and A. Danani, “Josephin Domain Dimerization on a Gold Surface: Evidences for a Double-Step Binding Pathway” in “Hybrid Organic-Inorganic Interfaces:Towards Advanced Functional Materials”, Wiley Book, Editors: Marie Helene Delville and Andreas Taubert, ISBN: 978-3-527-34255-6, December 2017, Volume 2, 923-937
  • G. Grasso, M.A. Deriu, V. Patrulea, G. Borchard, M. Möller and A. Danani, “Free Energy Landscape of siRNA-polycations complexation: elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization”, PLOS ONE, October 31, 2017 icona pdf
  • A.T. Ayoub, M. Staelens, A. Prunotto, M.A. Deriu, A. Danani, M. Klobukowski, and J.A. Tuszynski, “Microtubule Energy Balance: Contributions Due to Dipole Moments, Charges, van Der Waals and Solvation Energy”, International Journal of Molecular Sciences , DOI:10.3390/ijms18102042, icona pdf
  • A. Janaszewska, B. Klajnert-Maculewicz, D. Appelhans, G. Grasso, M.A. Deriu, A. Danani, M. Cangiotti, M.F. Ottaviani, ” A Maltose and Sulphate Terminated Dendrimer to prevent Amyloid-peptide Fibril Formation induced by Cu(II): a Multidisciplinar Approach”, NANO Research, DOI 10.1007/s12274‐017‐1734‐9 icona pdf
  • G. Grasso, J. A. Tuszynski, U. Morbiducci, G. Licandro, A. Danani, M. A. Deriu, “Thermodynamic and Kinetic Stability of the Josephin Domain Closed Arrangement: Evidences from Replica Exchange Molecular Dynamics”, Biology Direct Vol. 12, Issue 2 (2017)icona pdf


  • V. Astachov, M. Garzoni, C. Strehmel, A. Danani, K.- L. Choy, G. M. Pavan and A. Fahmi, “In Situ Functionalization of Self-assembled Dendrimer Nanofibers with Cadmium Sulfide Quantum Dots Through Simple Ionic-Substitution”, New Journal of Chemistry, Vol. 40, issue 7 (2016)
  • M. A. Deriu, G. Grasso; J. A. Tuszynski, D. Massai, D. Gallo, U. Morbiducci, A. Danani, “Characterization of the AXH Domain of Ataxin-1 Using Enhanced Sampling and Functional Mode Analysis”, Proteins: Structure, Funtions and Bioinformatics , Vol. 84, Issue 5, 2016, 666–673 icona pdf
  • M. A. Deriu, G. Grasso; J. A. Tuszynski, D. Gallo, U. Morbiducci, A. Danani, “Josephin Domain Structural Conformations Explored by Metadynamics in Essential Coordinates”, PLOS Computational Biology, Vol. 12, issue 1 (2016) icona pdf
  • G. Grasso, M. A. Deriu, J. A. Tuszynski, D. Gallo, U. Morbiducci, A. Danani, “Conformational Fluctuations of the AXH monomer of Ataxin 1”, Proteins: Structure, Funtions and Bioinformatics , Vol. 84, Issue 1, January 2016, 52–59 icona pdf
  • M. A. Deriu, L.M. Popescu, M. F. Ottaviani, A. Danani, R. M. Piticescu, “Iron oxide/PAMAM nanostructured hybrid systems. Combined computational and experimental studies”, Journal of Material Science, Vol. 51, issue 4 (2016)icona pdf


  • M. Maiolo, A. Vancheri, R. Krause, A. Danani, “Wavelets as Basis Functions to Represent the Coarse-Graining Potential in Multiscale Coarse Graining approach”, Journal of Computational Physics, Volume 300, 1 November 2015, Pages 592–604 icona pdf
  • F. Gentile, M. Deriu, G. Licandro, A. Prunotto, A. Danani, J.A. Tuszynski, “Structure Based Modeling of Small Molecules Binding to the Toll-Like Receptor 7 by Atomistic Level Simulations”, Molecules, 2015, 20(5), 8316-8340 icona pdf
  • G. Grasso, M. A. Deriu, M. Prat, L. Rimondini, E. Vernè, A. Follenzi, and A. Danani, “Cell Penetratin Peptide Adsorption on Magnetite and Silica Surfaces: a computational investigation”, J. Phys. Chem. B, 2015, 119 (26), 8239–8246 icona pdf


  • S. Furlan, G. La Penna, D. Appelhans, M. Cangiotti, M.F. Ottaviani and A. Danani, “Combined EPR and molecular modeling study of PPI dendrimers interacting with copper ions: effect of generation and maltose decoration”, Journal of Phys. Chem. B (2014) 118(42) : 12098-111 icona pdf
  • M. A. Deriu, G. Grasso, G. Licandro, A. Danani, D. Gallo, J. Tuszynski, U. Morbiducci, “Investigation of the Josephin Domain Protein-Protein Interaction by Molecular Dynamics”, Plos One, September 2014, Vol. 9, Issue 9, e108677
  • M. Gajewski, A. Danani, C-Y. Tseng, J. Tuszynski, “Homology and Molecular Dynamics Models of Toll-Like Receptor 7 Protein and Its Dimerization”, Chemical Biology & Drug Design (2014) Vol. 83, Issue 6, 656–666


  • F. C. Pérez‐Martínez, A.V. Ocaña, G.M. Pavan, A. Danani and V. Ceña, “Dendrimers as Vectors for Small Interfering RNA Transfection in the Nervous System “, in “Dendrimers in Biomedical Applications”, 134-147 (2013), RCS eBook Collection, Editor(s): B. Klajnert, L. Peng, V. Cena, DOI: 10.1039/9781849737296-00134
  • A. Fahmi, D. Appelhans, A. Danani, G.M. Pavan and B. Voit, “Dendrimer-based Hybrid Fibers as Potential Platform for 1D objects in Nanotechnology”, in “Dendrimers in Biomedical Applications”, 14-29 (2013), RCS eBook Collection, Editor(s): B. Klajnert, L. Peng, V. Cena, DOI: 10.1039/9781849737296-00014
  • J. Pokorný, A. Foletti, J. Kobilková, A. Jandová, J. Vrba, M. Nedbalová, A. Cocek, A. Danani and J.A. Tuszynski, “Biophysical Insights into Cancer Transformation and Treatment”, Scientific World Journal, 2013 Jun 11 (2013) 195028 icona pdf
  • A.O. Kasimova, G.M. Pavan, A. Danani, K. Mondon, A. Cristiani, L. Scapozza, R. Gurny and M. Moeller, “Validation of a novel molecular dynamics simulation approach for lipophilic drug incorporation into polymer micelles”, CHIMIA International Journal for Chemistry 02/2013 67(1):87


  • M. Zheng, G.M. Pavan, M. Neeb, A.K. Schaper, A. Danani, G. Klebe, O.M. Merkel, T. Kissel, “Targeting the blind spot of polycationic nanocarrier-based siRNA delivery”, ACS Nano, 2012 Nov 27;6(11):9447-54. icona pdf
  • G.M. Pavan, S. Monteagudo, J. Guerra, B. Carrion, V. Ocana, J. Rodriguez-Lopez, A. Danani, F.C. Perez-Martinez and V. Cena. “Role of generation, architecture, pH and ionic strength on successful siRNA delivery and transfection by hybrid PPV-PAMAM dendrimers”, Curr. Med. Chem., 2012, 29 (2012) 4929-4941.
  • J. Maly, E. Pedziwiatr-Werbick, M. Maly, A. Semeradtova, D. Appelhans, A. Danani, M. Zaborski, B. Klajnert, M. Bryszewska, “Highly organized self-assembled dendriplexes based on poly(propylene imine) glycodendrimer and anti-HIV oligodeoxynucleotides”, Curr. Med. Chem., 29, 17 (2012) 4708-4719
  • M.F. Ottaviani, M. Pregnolato, M. Cangiotti, L. Fiorani, A. Fattori, A. Danani, “Spin Probe Analysis of Microtubules Structure and Formation”, Archives of Biochemistry and Biophysics, 522(2012)1-8 icona pdf
  • L. M. Popescu, R. M. Piticescu, G. Doni and A. Danani, “Interfacial interactions of Fe3+ with PAMAM dendrimer in different pressure conditions. Molecular dynamics”, Rev. Roum. Chim., 2012, 57(1), 35-38
  • A.O. Kasimova, G.M. Pavan, A. Danani, K. Mondon, A. Cristiani, L. Scapozza, R. Gurny and M. Moeller, “Validation of a novel molecular dynamics simulation approach for lipophilic drug incorporation into polymer micelles”, J. Phys. Chem. B, 2012, 116, 4338-4345.
    icona pdf
  • M. Garzoni, N. Cheval, A. Fahmi, A. Danani, G.M. Pavan, “Ion-Selective Controlled Assembly of Dendrimer-Based Functional Nanofibers and Their Ionic-Competitive Disassembly”, JACS-Journal of the American Chemical Society, 2012, 134, 3349-3357
  • G.M. Pavan and A. Danani, “Dendrimers and Dendrons for siRNA binding: computational insights”, JDDST-Journal of Drug Delivery Science and Technology, 2012, 22, 83-89


  • M. Shema-Mizrachi, G.M. Pavan, E. Levin, A. Danani, N.G. Lemcoff, “Catalytic Chameleon Dendrimers”, JACS-Journal of the American Chemical Society, 133,36, 14359-67 (2011)”
  • G.M. Pavan and A. Danani, “Supporting the Design of Efficient Dendritic DNA and siRNA Nanocarriers with Molecular Modeling”, Curr Drug Discov Technol. (2011)8(4):314-28
  • L.B. Jensen, G.M. Pavan, M. Kasimova, S. Rutherford, A. Danani, H. M. Nielsen, C. Foged, “Elucidating the molecular mechanism of PAMAM-siRNA dendriplex self-assembly: Effect of dendrimer charge density”, International Journal of Pharmaceutics, 416(2)410-418 (2011)
  • L.M. Popescu, R.M. Piticescu, C.F. Rustia, M. Maly, A. Danani, S. Kintzios, M.T. Grinand,, “Preparation and characterization of new hybrid nanostructured thin film for biosensors design”, Material Letters, 65 (13) 2032-2035 (2011)
  • O.M. Merkel, M. Zheng, M.A. Mintzer, G.M. Pavan, D. Librizzi, M. Maly, H. Höffkend, A. Danani, E. Simanek and T. Kissel, “Molecular modeling and in vivo imaging can identify successful flexible triazine dendrimer-based siRNA delivery systems”, Journal of Controlled Release, 153 (2011) 23-33
  • G. Doni, M.A. Kostiainen, A. Danani and G.M. Pavan, “Generation-Dependent Molecular Recognition Controls Self-Assembly in Supramolecular Dendron-Virus Complexes “, Nanoletters, 11(2), 723-728 (2011)
  • G.M. Pavan, M.A. Kostiainen and A. Danani, “Protein–dendron conjugates for DNA binding: understanding the effect of the protein core on multivalency”, RSC Advances 01/2011; 1(9-1):1677-1681.


  • G.M. Pavan, A. Danani , “The influence of dendrons architecture on the “rigid” and “flexible” behaviour in Binding DNA -a modelling study”, Phys. Chem. Chem. Phys., 12, 13914-13917 (2010)
  • G.M. Pavan, M. Kostiainen, A. Danani , “Computational Approach for Understanding the Interactions of UV-Degradable Dendrons with DNA and siRNA “,
    J. Phys. Chem. B, 114 (17) 5686-5693 (2010)
  • G.M. Pavan, P. Posocco, A. Tagliabue, M. Maly, A. Malek, A. Danani, E. Ragg, C. Catapano and S. Pricl, “PAMAM Dendrimers for siRNA Delivery: Computational and Experimental Insights “, Chem. Eur. J., 16(26) 7781-95 (2010)
  • S.P. Jones, G.M. Pavan, A. Danani, S. Pricl, D.K. Smith, “Quantifying the Effect of Surface Ligands on Dendron-DNA Interactions. Insights into Multivalency through a Combined Experimental and Theoretical Approach”, Chem. Eur. J. 16, 4519 – 4532 (2010)
  • G. Ambrosetti, C. Grimaldi, I. Balberg, T. Maeder, A. Danani, P. Ryser ,
    “Solution of the tunneling-percolation problem in the nanocomposite regime “,
    Phys. Rev. B81, 155434 (2010)
  • G.M. Pavan, L. Albertazzi, A. Danani , “The Ability to Adapt: Different Generations of PAMAM Dendrimers Show Different Behaviors in Binding siRNA”, J. Phys. Chem. B, 114, 2667-2675 (2010)
  • G.M. Pavan, M.A. Mintzer, E. Simanek, O.M. Merkel, T. Kissel, A. Danani,
    “Computational Insights into the Interactions between DNA and siRNA with “Rigid” and “Flexible” Triazine Dendrimers”, Biomacromolecules, 11, 721-730 (2010)


  • F. Balzano, M. Zedda, M. Basagni, S. Dei Giudici, A. Danani , V. Sanna , “Relationship between magnetism and prion protein”, Exp. Biol. Rep., N.1, Vol 1 (2009) 16-18
  • G. Ambrosetti, N. Johner, C. Grimaldi, T. Maeder, P. Ryser and A. Danani , “Electron Tunneling in conductor-insulator composites with spherical fillers”, Journal of Applied Physics, 106, 016103 (2009)
  • G.M. Pavan, A. Danani, S. Pricl, D.K. Smith, “Modeling the Multivalent Recognition between Dendritic Molecules and DNA: Understanding How Ligand Sacrifice and Screening Can Enhance Binding”, JACS-Journal of the American Chemical Society, 131(28):9686-94 (2009)


  • Posocco P., Pavan G. M., Scocchi G., Handgraaf J.-W., Malek A., Maly M., Fermeglia M., Fraaije H.J.G.E.M., Catapano C., Danani A., Pricl S., “Base Invaders. Coupling Experiments and Multiscale Modeling of Dendrimer-Based siRNA Delivery Agents”, Advances in Science and Technology, (2008), 57, 154-159.
  • S. Pricl, P. Posocco, G. M. Pavan, M. Fermeglia, G. Scocchi, A. Danani, A. Malek, S. Napoli, C. V. Catapano, “Designing nanovectors for siRNA delivery: coupled experimental/modeling investigations”, Ejc Supplements – EJC SUPPL 01/2008; 6(12):173-173.
  • G. Ambrosetti, N. Johner, C. Grimaldi, A. Danani, P. Ryser, “Percolative Properties of Hard Oblate Ellipsoids of Revolution With a Soft Shell”, Phys. Rev. E 78, 061126 (2008)

until 2007

  • S. Pricl, P. Posocco, M. Fermeglia, G. Scocchi, A. Danani , J. W. Handgraaf, & H. Fraaije, “The dark side of the moon: a multiscale approach to self-assembly of dendrimers for cancer therapy”, Molecular Cancer Therapeutics, 6(11 Supplement), (2007) C102-C102
  • G. Scocchi, P. Posocco, A. Danani, S. Pricl, M. Fermeglia,
    “To the nanoscale, and beyond! Multiscale molecular modelling of polymer-clay nanocomposites”, Fluid Phase Equilibria 261 (1-2), 366 , (2007)
  • G. E. Tommei, F. Baletto, R. Ferrando, R. Spadacini, and A. Danani, “Energetics of fcc and decahedral nanowires of Ag, Cu, Ni, and C60: A quenched molecular dynamics study”, Phys. Rev. B 69, (2004) 115426
  • A. Danani, “Il Metodo Variazionale a Cluster per il quadrato MxM”, Il Volterriano, 8 (2000)
  • A. Danani, R. Ferrando, E. Scalas and M. Torri , “Collective surface diffusion on a triangular lattice in presence of ordered phases”, Surf. Sci. 402, (1998) 281-285, DOI: 10.1016/S0039-6028(97)01009-1
  • A. Danani, R. Ferrando, E. Scalas, and M. Torri, “Lattice-Gas Theory of Collective Diffusion in Adsorbed Layers”, Surf. Sci. 409 (1997) 117
  • A. Danani, R.Ferrando, M.Torri, E.Scalas, Int. J. Mod. Phys. B11 (1997) 2217-2279
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