Publications

2017

  • G. Grasso, U. Morbiducci, J.A. Tuszynski, A. Danani, and M.A. Deriu, “Destabilizing the AXH tetramer by intra- and inter-dimer mutations: from molecular mechanism to potential anti-aggregation strategies”, submitted to Biophysical Journal
  • M.A. Deriu, M. Cangiotti, G. Grasso, G. Licandro, A. Lavasanifar, J.A. Tuszynski, M.F. Ottaviani, A. Danani,
    “Molecular mechanism of TLR7 activation by conjugated ligands studied by molecular modeling, electron paramagnetic resonance, dynamic light scattering, and cytotoxicity assessment”,
    submitted to Langmuir
  • 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”, to be published in PLOS ONE, PONE-D-17-20800R2
  • M.A. Deriu, G. Grasso, G. Licandro, and A. Danani, “Influence of Gold-Surface Interactions on the Josephin Domain Dimerization Mechanism: A Computational Study” in “Hybrid Organic-Inorganic Interfaces:Towards Advanced Functional Materials”, Wiley Book, Editors: Marie Helene Delville and Andreas Taubert, ISBN: 978-3-527-34255-6, 923-937
  • 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, 656–6662013

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
  • 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