Publications

Submitted

  • F. Stojcevski, G. Grasso, L. Pallante, A. Danani, “Molecular and Coarse-Grained Modelling to Characterize and Optimize Dendrimer-Based Nanocarriers for siRNA Delivery”, submitted to ACS Omega
  • E. Trofimenko, G. Grasso, M. Heulot, N. Chevalier, M. A Deriu, G. Dubuis, Y. Arribat, M. Serulla Llorens, Sébastien Michel, G. Vantomme, F. Ory, J. Puyal, F. Amati, A. Lüthi, A. Danani, and C. Widmann, “Potassium channels, mega hyperpolarization, and water pore formation are key determinants for cationic cell-penetrating peptide translocation into cells”, submitted to Cell
  • S. Cruciani, G. Garroni, C. Ventura, A. Danani, M. Maioli, “Stem cells and physical energies: can we really drive stem cell fate?”, submitted to Physiological research
  • G. Grasso, S. Mercuri, A. Danani , M. A. Deriu, “Biofunctionalization of Silica Nanoparticles with Cell Penetrating Peptides: Adsorption Mechanism and Binding Energy Estimation”, submitted to J. Phys. Chem. B
  • S. Muscat, F. Stojcevski, A. Danani , “Elucidating the Effect of Static Electric Field on Amyloid Beta 1-42 Supramolecular Assembly”, submitted to Journal of Molecular Graphics and Modelling

2019

  • 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, 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”, Journal of Nanobiotechnology, 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”, Journal of Chromatography A , 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

2018

  • 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

2017

  • 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
    https://doi.org/10.1371/journal.pone.0186816 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

2016

  • 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

2015

  • 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

2014

  • 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

2013

  • 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

2012

  • 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

2011

  • 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.

2010

  • 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)

2009

  • 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)

2008

  • 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

  • Pricl, S., Posocco, P., Fermeglia, M., Scocchi, G., Danani A., Handgraaf, J. W., & Fraaije, H. (2007). The dark side of the moon: A multiscale approach to self-assembly of dendrimers for cancer therapy. Molecular Cancer Therapeutics, 6(11 Supplement), 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, 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 , Surf. Sci. 402, (1998) 281
  • A. Danani, R. Ferrando, E. Scalas, and M. Torri, Surf. Sci. 409 (1997) 117
  • A. Danani, R.Ferrando, M.Torri, E.Scalas, Int. J. Mod. Phys. B11 (1997) 2217-2279
  • A. Danani, R.Ferrando, M.Torri, E.Scalas,  Physica A 223 (1996) 149-166
  • A. Danani and P.Zanardi,  Mod. Phys. Lett. B9 (1995) 1873
  • A. Danani, R.Ferrando, M.Torri, E.Scalas and G.P.Brivio, Chem.Phys.Lett. 236 (1995) 533
  • A. Danani, M.Rasetti and A.I.Solomon, “Dynamical Symmetries and Supersymmetries for Linearized Many-Electron Systems: a Review” , in Theories of Matter: a Festschrift for Prof. Joseph Birman, A.I.Solomon, M.Balkansky and H.F.Trebin, eds; World Scientific, Singapore (1994)
  • A. Danani and A.Pelizzola, Mod. Phys. Lett. B7 (1993) 176
  • A. Danani and M.Rasetti, “Dynamical Algebras and Superalgebras for Interacting Itinerant Many-Electron Systems” , in Symmetries in Physics, B.Gruber, editor; Plenum Press, N.Y. (1993)
  • A. Danani and M.Rasetti, Mod. Phys. Lett. B6 (1992) 1583
  • A. Danani, A.Montorsi and M.Rasetti, Int. J. Mod. Phys. B6 (1992) 3529
  • A. Danani, A.Montorsi and M.Rasetti,
    “Pairing in the extended Hubbard model: dimer fermi-linearized approach”
    in Probabilistic methods in Mathematical Physics, F.Guerra, M.Loffredo and C.Marchioro, eds; World scientific, Singapore, 1992