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1. Abbate, I., Rozera, G., Tommasi, C., Bruselles, A., Bartolini, B., Chillemi, G., Nicastri, E., Narciso, P., Ippolito, G. & Capobianchi, M.R. (2010). Analysis of co-receptor usage of circulating viral and proviral HIV genome quasispecies by ultra-deep pyrosequencing in patients who are candidates for CCR5 antagonist treatment. Clin Microbiol Infect., Available Online 5 November 2010.

2. Acebron, J.A., Rodríguez-Rozas, Á & Spigler, R. (2010). A fully scalable algorithm suited for petascale computing and beyond. Comput. Sci. Res. Dev. 25, 115-121.

3. Acebron, J.A., Rodríguez-Rozas, Á & Spigler, R. (2010). Efficient Parallel Solution of Nonlinear Parabolic Partial Differential Equations by a Probabilistic Domain Decomposition. J. Sci. Comput. 43, 135-157.

4. Alesii, G. (2010). Assessing Least Squares Monte Carlo for the Kulatilaka Trigeorgis General Real Options Pricing Model VII, LAP Lambert Academic Publishing, Saarbrucken, Deutschland.

5. Amadei, A., Daidone, I., Di Nola, A. & Aschi, M. (2010). Theoretical-computational modelling of infrared spectra in peptides and proteins: a new frontier for combined theoretical-experimental investigations. Curr. Opin. Struc. Biol. 20, 1-7.

6. Amati, F., Diano, L., Campagnolo, L., Vecchione, L., Cipollone, D., Bueno, S., Prosperini, G., Desideri, A., Siracusa, G., Chillemi, G., Marino, B. & Novelli, G. (2010). Hif1 alpha down-regulation is associated with transposition of great arteries in mice treated with a retinoic acid antagonist. Bmc Genomics 11, 497.

7. Angelani, L. & Di Leonardo, R. (2010). Geometrically biased random walks in bacteria driven micro-shuttles. New J. Phys. 12, 113017.

8. Aschi, M., Fontana, A., Maria Di Meo, E., Zazza, C. & Amadei, A. (2010). On the characterization of electronic states in complex molecular systems: absorption spectrum of pyrene as a case study. J. Phys. Chem. B 114, 1915-1924.

9. Avella, A., Mancini, F., Mancini, F.P. & Plekhanov, E. (2010). Filling and temperature dependence of the spin susceptibility of the two-dimensional Hubbard model in the superconducting d-wave phase. J. Phys. and Chem. Solids, In Press, Available Online 7 October 2010.

10. Avella, A., Mancini, F., Mancini, F.P. & Plekhanov, E. (2010). Single-particle dispersion of the 2D p-d model. J. Phys. and Chem. Solids, In Press, Available Online 15 October 2010.

11. Avella, A., Mancini, F. & Plekhanov, E. (2010). COM framework for d-wave superconductivity in the 2D Hubbard model. Physica C 470(Suppl. 1), S930-S931.

12. Babiaczyk, W.I., Bonella, S., Guidoni, L. & Ciccotti, G. (2010). Hydration structure of the quaternary ammonium cations. J. Phys. Chem. B 114, 15018-15028.

13. Baccarelli, I., Gianturco, F.A., Scifoni, E., Solovyov, A. & Surdutovich, E. (2010). Molecular level assessments of radiation biodamage. Eur. Phys. J. D 60, 1-10.

14. Bagolini, L., Mattoni, A., Fugallo, G., Colombo, L., Poliani, E., Sanguinetti, S. & Grilli, E. (2010). Quantum Confinement by an Order-Disorder Boundary in Nanocrystalline Silicon. Phys. Rev. Lett. 104(17), 176803.

15. Bec, J., Biferale, L., Cencini, M., Lanotte, A.S. & Toschi, F. (2010). Intermittency in the velocity distribution of heavy particles in turbulence. J. Fluid Mech. 646(1), 527-536.

16. Bec, J., Biferale, L., Lanotte, A.S., Scagliarini, A. & Toschi, F. (2010). Turbulent pair dispersion of inertial particles. J. Fluid Mech. 645, 497-528. 17. Berrone, S., Garbero, V. & Marro, M. (2010). Numerical simulation of incompressible flows past a rectangular cylinder based on adaptive finite

element and finite volume methods.The Fifth International Symposium on Computational Wind Engineering (CWE2010), Chapel Hill, North Carolina, USA, May 23-27, 2010.

18. Berrone, S. & Marro, M. (2010). Numerical investigation of effectivity indices of space-time error indicators for Navier-Stokes equations. Comput. Method Appl. M. 199(25-28), 1764-1782.

19. Bersani, A.M., Carlini, E., Lanucara, P., Rorro, M. & Ruggiero, V. (2010). Application of Optimal Control techniques and Advances Computing to the study of enzyme kinetics. Math. Comput. Simulat. 81, 705-716.

20. Beux, F., Bilanceri, M. & Salvetti, M.V. (2010). Final technical report for the ESA Project: Scaling of thermal cavitation effects on cavitation-induced instabilities. Dipartimento di Ingegneria Aerospaziale “L. Lazzarino”, Università di Pisa.

21. Biferale, L., Mantovani, F., Sbragaglia, M., Scagliarini, A., Toschi, F. & Tripiccione, R. (2010). High resolution numerical study of Rayleigh-Taylor tur-bulence using a thermal lattice Boltzmann scheme. Phys. Fluids 22(11), 115112.

22. Biferale, L., Scagliarini, A. & Toschi, F. (2010). On the measurement of vortex filament lifetime statistics in turbulence. Phys. Fluids 22(6), 065101. 23. Bilanceri, M., Beux, F. & Salvetti, M.V. (2010). An Implicit Low-Diffusive HLL Scheme with Complete Time Linearization: Application to Cavitating

Barotropic Flows. V European Conference on Computational Fluid Dynamics, Lisbon, Portugal, June 14-17, 2010.

24. Bilanceri, M., Beux, F. & Salvetti, M.V. (2010). An implicit low-diffusive HLL scheme with complete time linearization: application to cavitating ba-rotropic flows. Comput. Fluids 39(10), 1990-2006.

25. Bobone, S., Bocchinfuso, G., Palleschi, A., Kim, J.Y., Patk, Y., Hahm, K.S. & Stella, L. (2010). Effect of helix kink on the activity and selectivity of an antimicrobial peptide 455. WE-Heraeus-Seminar. Biophysics of Membrane-Active Peptides, Physikzentrum Bad Honnef, Germany, April 11-14, 2010.

LE PUBBLICAZIONI SCIENTIFICHE PRODOTTE

CON IL CONTRIBUTO DEL CASPUR NEL 2010

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26. Bobone, S., Bocchinfuso, G., Palleschi, A., Kim, J.Y., Patk, Y., Hahm, K.S. & Stella, L. (2010). Effect of helix kink on the activity and selectivity of an antimicrobial peptide. EBSA Biophysics Course on: Membrane Biophysics & Lipid/Protein Interaction, Bordeaux-Arcachon, France, June 6-11, 2010. 27. Bobone, S., Bocchinfuso, G., Palleschi, A., Kim, J.Y., Patk, Y., Hahm, K.S. & Stella, L. (2010). Effect of helix kink on the activity and selectivity of an antimicrobial peptide. Tales of Peptides: the Proceedings of the 31stEuropean Peptide Symposium, European Peptide Society 2010. Lebl, M.,

Meldal, M., Jensen, K.J., Hoeg-Jensen, T., Eds., pp. 370-371.

28. Bobone, S., Del Galdo, S., Bocchinfuso, G., Palleschi, A., Kim, J.Y., Patk, Y., Hahm, K.S. & Stella, L. (2010). The Importance of being Kinked: Role of Pro Residues in the Selectivity of helical antimicrobial peptide. XX Congresso Nazionale della Società Italiana di Biofisica Pura e Applicata (SIBPA), Arcidosso, Italy, September 11-14, 2010.

29. Bocchinfuso, G., Mazzuca, C., Sandolo, C., Margheritelli, S., Alhaique, F., Coviello, T. & Palleschi, A. (2010). Guar Gum and Scleroglucan Interactions with Borax: Experimental and Theoretical Studies of an Unexpected Similarity. J. Phys. Chem. B 114(41), 13059-13068.

30. Bodo, E. & Caminiti, R. (2010). The Structure of Geminal Imidazolium Bis(trifluoromethylsulfonyl)amide Ionic Liquids: a Theoretical Study of the Gas Phase Ionic Complexes. J. Phys. Chem. A 114, 12506-12512.

31. Bodo, E., Gontrani, L. & Caminiti, R. (2010). Structural Properties of 1-Alkyl-3-methylimidazolium Bis(trifluoromethyl)sulfonylamide Ionic Liquids: X-ray Diffraction Data and Molecular Dynamics Simulations. J. Phys. Chem. B 114, 16398-16400.

32. Bodo, E., Gontrani, L., Triolo, A. & Caminiti, R. (2010). Structural Determination of Ionic Liquids with Theoretical Methods: C8mimBr and C8mimCl. Strength and Weakness of Current Force Fields. J. Phys. Chem. Lett. 1(7), 1095-1100.

33. Bodo, E. & Lanaro, G. (2010). Theoretical treatment of the electronic excited states of the DMSO molecule: a challenge for current theoretical me-thods. Chem. Phys. 377, 136-141.

34. Bokanowski, O., Cristiani, E. & Zidani, H. (2010). An Efficient Data Structure and Accurate Scheme to Solve Front Propagation Problems. J. Sci. Comput. 42, 251-273.

35. Bongiorni, S., Chillemi, G., Prosperini, G., Bueno, S., Valentini, A., Moioli, B. & Pariset, L. (2010). Sheep Mammary Transcriptome Analysis By Custom Microarrays. Plant & Animal Genoms XVIII Conference, San Diego, CA, USA, January 9-13, 2010.

36. Borello, D., Delibra, G., Hanjalic, K. & Rispoli, F. (2010). Hybrid LES/RANS study of turbulent flow in a low speed linear compressor cascade with moving casing. ASME Turbo EXPO 2010 conference, Glasgow, UK, June 14-18, 2010.

37. Bovino, S., Stoecklin, T. & Gianturco, F.A. (2010). The Ionic Pathways of Lithium Chemistry in the Early Universe: Quantum Calculations for LiH Re-acting with H. Astrophys. J. 708, 1560-1565.

38. Bovino, S., Tacconi, M., Stoecklin, T. & Gianturco, F.A. (2010). Is H an efficient destroyer of LiH molecules? A quantum investigation at the Early Universe conditions. Astrophys. J. 724, 126.

39. Broglia, R. & Iafrati, A. (2010). Hydrodynamics of Planing Hulls in Asymmetric Conditions. 28thSymposium on Naval Hydrodynamics, Pasadena,

California, September 12-17, 2010.

40. Broglia, R., Zaghi, S. & Di Mascio, A. (2010). Experimental and numerical investigations on fast catamarans interference effects, J. Hydrodyn. 22(5, Suppl. 1), 545-549.

41. Bucher, D., Guidoni, L., Carloni, P. & Rothlisberger, U. (2010). Coordination numbers of K+and Na+ions inside the selectivity filter of the KcsA

po-tassium channel: Insights from first principles molecular dynamics. Biophys. J. 98, L47-L49.

42. Caddeo, C., Melis, C., Colombo, L. & Mattoni, A. (2010). Understanding the Helical Wrapping of Poly(3-hexylthiophene) on Carbon Nanotubes. J. Phys. Chem. C 114(49), 21109-21113.

43. Cadelano, E., Palla, P., Giordano, S. & Colombo, L. (2010). Elastic properties of hydrogenated graphene. Phys. Rev. B 82(23), 235414. 44. Campanelli, A.R., Domenicano, A., Piacente, G. & Ramondo, F. (2010). Electronic Substituent Effects in Bicyclo[1.1.1]pentane and [n]Staffane

De-rivatives: A Quantum Chemical Study Based on Structural Variation. J. Phys. Chem. A 114(15), 5162-5170.

45. Campanelli, A.R., Domenicano, A., Ramondo, F. & Hargittai, I. (2010). Molecular structure and conformation of triphenylsilane from gas-phase electron diffraction and theoretical calculations, and structural variations in H4-nSiPhn molecules (n = 1-4). Struct. Chem., Online First, doi: 10.1007/s11224-010-9720-9

46. Cantoni, M., Petti, D., Bertacco, R., Pallecchi, I., Marré, D., Colizzi, G., Filippetti, A. & Fiorentini, V. (2010). Band alignment at Cu2O/La0.7Sr0.3MnO3 interface: A combined experimental-theoretical determination. Appl. Phys. Lett. 97(3), 032115.

47. Carchini, G. (2010). Studio del folding di analoghi della Gramicidina S mediante simulazioni di dinamica molecolare, Master thesis, Department of Chemistry, University “Sapienza”, Rome, Italy.

48. Carelli, F., Sebastianelli, F., Baccarelli, I. & Gianturco, F.A. (2010). Electron-driven reactions in proto-planetary atmospheres: Metastable anions of gaseous o-benzyne. Astrophys. J. 712, 445-452.

49. Caruso, D., Tacconi, M., Yurtsever, E. & Gianturco, F.A. (2010). Quenching of internal rotations versus collisional cooling at ultralow energies for weakly interacting partners: Cs2(3Σu+) with 3,4He. Phys. Rev. A 81, 042710.

50. Caruso, M., Placidi, E., Gatto, E., Mazzuca, C., Stella, L., Palleschi, A., Bocchinfuso, G., Formaggio, F., Toniolo, C. & Venanzi, M. (2010). Optical spec-troscopy and conformational analysis of peptide aggregates: the role of aromatic interactions and conformational flexibility. XXXIX Congresso Na-zionale di Chimica Fisica, Stresa, Italy, September 20-24, 2010.

51. Castiglione, F. & Paci, P. (2010). Criticality of Timing for Anti-HIV Therapy Initiation. PLoS ONE 5(12), e15294.

52. Cesarone, F., Scozzari, A. & Tardella, F. (2010). A new portfolio selection approach: Models and Algorithms. 24thEuropean Conference on Operational

Research, Lisbon, Portugal, July 11-14, 2010.

53. Chillemi, G., Coletta, A., Mancini, G., Sanna, N. & Desideri, A. (2010). An amber compatible molecular mechanics force field for the anticancer drug topotecan. Theor. Chem. Acc. 127(4), 293-302.

54. Chinappi, M. & Casciola, C.M. (2010). Intrinsic slip on hydrophobic self-assembled monolayer coatings. Phys. Fluids 22(4), 042003. 55. Ciamarra, M.P., Nicodemi, M.P. & Coniglio, A. (2010). Recent results on the jamming phase diagram. Soft Matter 6, 2871.

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57. Coccia, E. & Gianturco, F.A. (2010). Attachment Energetics of Quantum Dopants in a Weakly Interacting Quantum Solvent: 1H, 2H and 3H in Small 4He Clusters. J. Phys. Chem. A 114, 3221.

58. Coletta, A., Morozzo della Rocca, B., Jaisankar, P., Majumder, H.K., Chillemi, G., Sanna, N. & Desideri, A. (2010). Assignment of UV-vis Spectrum of (3,3)-Diindolylmethane, a Leishmania donovani Topoisomerase IB Inhibitor and a Candidate DNA Minor Groove Binder. J. Phys. Chem. A 114(26), 7121-7126.

59. Colizzi, G., Filippetti, A. & Fiorentini, V. (2010). Multiferroicity and orbital ordering in Pr0.5Ca0.5MnO3from first principles. Phys. Rev. B 82(14), 140101.

60. Continenza, A. & Profeta, G. (2010). Mn doping in model amorphous Si and Ge: A theoretical investigation. J. Phys.: Conf. Ser. 200(3), 032014. 61. Corsini, A., Minotti, S., Rispoli, F. & Sheard, G. (2010). U-RANS of a large industrial fan under design and off-design operations. European

Turbo-machinery Conference, Istanbul, Turkey, March 21-25, 2010.

62. Cristea, A., Gonnella, G., Lamura, A. & Sofonea, V. (2010). A lattice Boltzmann study of phase separation in liquid-vapor systems with gravity. Commun. Comput. Phys. 7(2), 350-361.

63. Cristiani, E. & Martinon, P. (2010). Initialization of the shooting method via the Hamilton-Jacobi-Bellman approach. J. Optim. Theory Appl. 146, 321-346.

64. Cruz Perez, B., Toro Medina, J., Sundaram, N., Thole, K. & Leonardi, S. (2010). Direct Numerical Simulation and Experimental Results of a Turbulent Channel Flow with Pin Fins Array. Proceedings of the Seventh International ERCOFTAC Workshop on Direct and Large-Eddy Simulation, University of Trieste, Italy, September 8-10, 2008. Springer Netherlands, pp. 63-68.

65. Curir, A., Murante, G., Poglio, E. & Villalobos, A. (2010). The dual nature of the Milky Way stellar halo. Proceedings of the International Astronomical Union (IAU) Symposium No.271, Astrophysical dynamics – from stars to galaxies, Nice, France, June 21-25, 2010.

66. Curir, A., Murante, G., Poglio, E. & Villalobos, A. (2010). The assembly of the Milky Way stellar halo. Proceedings of the 8thInternational Workshop

on Identification of Dark Matter (IDM), Montpellier, France, July 26-30, 2010.

67. D’Andria, P., Viggiano, A. & Magi, V. (2010). High-performance Computations of Large Eddy Simulations of Compressible Jets. 9thIASTED International

Conference on Parallel and Distributed Computing and Networks, Innsbruck, Austria, February 16-18, 2010.

68. D’Angelo, P., Della Longa, S., Arcovito, A., Anselmi, M., Di Nola, A. & Chillemi, G. (2010). Dynamic investigation of protein metal active site: the interplay of XANES and molecular dynamics simulations. J. Am. Chem. Soc. 132(42), 14901-14909.

69. D’Angelo, P., Migliorati, V. & Guidoni, L. (2010). On the hydration properties of the bromide aqua ion: the interplay of first principle and classical Molecular Dynamics, and X-ray absorption spectroscopy. Inorg. Chem. 49, 4224-4231.

70. D’Angelo, P., Zitolo, A., Pacello, F., Mancini, G., Proux, O., Hazemann, J.L., Desideri, A. & Battistoni, A. (2010). Fe-heme structure in Cu, Zn superoxide dismutase from Haemophilus ducreyi by X-ray Absorption Spectroscopy. Arch. Biochem. Biophys. 498(1), 43-49.

71. Daidone, F. (2010). Computer-Aided Drug-Design of Competitive Inhibitors of l-DOPA-Decarboxylase: a Target for the Treatment of Parkinsons Di-sease. PROTEINE 2010, Parma, Italy, April 8-10, 2010.

72. Daidone, I., Aschi, M., Zanetti-Polzi, L., Di Nola, A. & Amadei, A. (2010). On the origin of IR spectral changes upon protein folding. Chem. Phys. Lett. 488(4-6), 213-218.

73. Daidone, I., Magliano, A., Di Nola, A., Mignogna, G., Clarkson, M., Lizzi, A., Oratore, A. & Mazza, F. (2010). Conformational study of bovine lacto-ferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism. BioMetals In Press, Available Online 17 No-vember 2010.

74. De Rosa, M., Giardina, B., Bianchi, C., Carelli Alinovi, C., Pirolli, D., Ferraccioli, G., De Santis, M., Di Sante, G. & Ria, F. (2010). Modeling the Ternary Complex TCR-Vβ/CollagenII(261-273)/HLA-DR4 Associated with Rheumatoid Arthritis. PLoS ONE 5(7), e11550.

75. Debernardi, A. (2010). Ab initio study of structural, vibrational and dielectric properties of high-k HfO2as a function of doping. IOP C. Ser.: Mater. Sci. En. 8(1), 012021.

76. Delugas, P., Alippi, P., Fiorentini, V. & Raineri, V. (2010). Reorientable dipolar Cu-Ca antisite and anomalous screening in CaCu3Ti4O12. Phys. Rev. B 81(8), 081104.

77. Di Marino, D., Oteri, F., Morozzo della Rocca, B., Chillemi, G. & Falconi, M. (2010). ADP/ATP mitochondrial carrier MD simulations to shed light on the structural-dynamical events that, after an additional mutation, restore the function in a pathological single mutant. J. Struct. Biol. 172(3), 225-232.

78. Dorkin, S.M., Hilger, T., Kampfer, B. & Kaptari, L.P. (2010). A Combined Solution of the Schwinger-Dyson and Bethe-Salpeter Equations for Mesons as qq? Bound States. arXiv:1012.5372 [nucl-th].

79. Dorkin, S.M., Hilger, T., Kaptari, L.P. & Kampfer, B. (2010). Heavy pseudoscalar mesons in a Schwinger-Dyson-Bethe-Salpeter approach. ArXiv:1008.2135 [nucl-th].

80. Dri, C., Peronio, A., Vesselli, E., Africh, C., Rizzi, M., Baldereschi, A., Peressi, M. & Comelli, G. (2010). Imaging and characterization of activated CO2 species on Ni(110). Phys. Rev. B 82(16), 165403.

81. Durante, D., Broglia, R., Muscari, R. & Di Mascio, A. (2010). Numerical simulations of a turning circle manoeuvre for a fully appended hull. 28th

Symposium on Naval Hydrodynamics, Pasadena, California, September 12-17, 2010.

82. Fachin, S. & Gavosto, A. (2010). Trends of Labour Productivity in Italy: A Study with Panel Cointegration Methods. Int. J. Manpower 31(7), 755-769.

83. Falcone, M. & Rorro, M. (2010). On the computation of the effective Hamiltonian in the non convex case. Tr. Inst. Mat. Mekh. 16(5), 253-260. 84. Falcone, M. & Rorro, M. (2010). Optimization techniques for the computation of the effective Hamiltonian. Recent Advances in Optimization and

its Applications in Engineering, Moritz Diehl, Francois Glineur, Elias Jarlebring & Wim Michiels, eds., Springer Berlin Heidelberg, pp. 225-236. 85. Federrath, C., Banerjee, R., Clark, P. C. & Klessen, R.S. (2010). Modeling Collapse and Accretion in Turbulent Gas Clouds: Implementation and

Com-parison of Sink Particles in AMR and SPH. Astrophys. J. 713(1), 269.

86. Ferrari, A., Mignone, F. & Campigotto, M. (2010). Relativistic Jets and Current Driven Instabilities. Proceedings of the International Astronomic Union (IAU) Symposium No. 274, Advances in Plasma Astrophysics, Catania, Italy, September 6-10, 2010.

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88. Fukushima, T., Yamauchi, K. & Picozzi, S. (2010). Magnetically induced ferroelectricity in Cu2MnSnS4and Cu2MnSnSe4. Phys. Rev. B 82(1), 014102. 89. Gabbianelli, F., Mariotti, M., Mancini, G., Valentini, A., Alhaique, F., De Minicis, E. & Pariset, L. (2010). The origin of the central Italy sheep: comparison of modern and medieval DNA. Proceedings of the 10thInternational Conference on Ancient DNA and Associated Biomolecules (ADNA

2010), Munich, Germany, October 10-13, 2010.

90. Galantini, L., Leggio, C., Konarev, P. V. & Pavel, N. V. (2010). Human serum albumin binding ibuprofen: A 3D description of the unfolding pathway in urea. Biophys. Chem. 147(3), 111-122.

91. Gentilini, S., Fratalocchi, A. & Conti, C. (2010). Signatures of Anderson localization excited by an optical frequency comb. Phys. Rev. B 81(1), 014209.

92. Gervasio, G., Marabello, D., Bianchi, R. & Forni, A. (2010). Detection of Weak Intramolecular Interactions in Ru3(CO)12by Topological Analysis of Charge Density Distributions. J. Phys. Chem. A 114(34), 9368-9373.

93. Giombini, E., Orsini, M., Carrabino, D. & Tramontano, A. (2010). An automatic method for identifying surface proteins in bacteria: SLEP. BMC Bioin-formatics 11(1), 39.

94. Gobbi, R., Palpacelli, S. & Spigler, R. (2010). Numerical solution of certain classes of transport equations in any dimension by Shannon sampling. J. Comput. Phys. 229(9), 3502-3522.

95. Gonnella, G., Lamura, A., Piscitelli, A. & Tiribocchi, A. (2010). Phase separation of binary fluids with dynamic temperature. Phys. Rev. E 82(4), 046302.

96. Gori, P., Contini, G., Prosperi, T., Zema, N., Ronci, F., Colonna, S., Cricenti, A., Turchini, S., Catone, D., Aschi, M. & Palma, A. (2010). Supramolecular organization of chiral molecules on metallic surfaces: D-alaninol on Cu(100) as a case study. Phys. Status Solidi C 7(11-12), 2616-2619. 97. Grottesi, A., Imbrici, P., Chillemi, G. & Pessia, M. (2010). All-Atom Molecular Dynamics Simulations of the K Channel Chimera Kv1.2/Kv2.1. Biophys.

J. 98(3), 519a.

98. Gualtieri, P. & Meneveau, C. (2010). Direct numerical simulations of turbulence subjected to a straining and destraining cycle. Phys. Fluids 22(6), 065104.

99. Guerra, R., Degoli, E., Marsili, M., Pulci, O. & Ossicini, S. (2010). Local-fields and disorder effects in free-standing and embedded Si nanocrystallites. Phys. Status Solidi B 247(8), 2113-2117.

100. Hajjar, E., Bessonov, A., Molitor, A., Kumar, A., Mahendran, K.R., Winterhalter, M., Pagès, J. M., Ruggerone, P. & Ceccarelli, M. (2010). Toward Screening for Antibiotics with Enhanced Permeation Properties through Bacterial Porins. Biochemistry 49(32), 6928-6935.

101. Hajjar, E., Kumar, A., Ruggerone, P. & Ceccarelli, M. (2010). Investigating reaction pathways in rare events simulations of antibiotics diffusion through protein channels. J. Mol. Model., 16(11), 1701-1708.

102. Hajjar, E., Mahendran, K.R., Kumar, A., Bessonov, A., Petrescu, M., Weingart, H., Ruggerone, P., Winterhalter, M. & Ceccarelli, M. (2010). Bridging Timescales and Length Scales: From Macroscopic Flux to the Molecular Mechanism of Antibiotic Diffusion through Porins. Biophys. J. 98(4), 569-575.

103. Hertweck, M.S. (2010). Endogenous On-the-Job Search and Frictional Wage Dispersion (No. 02/10), Technical report, University of Basel. 104. Horner, D.S., Pavesi, G., Castrignanò, T., D’Onorio De Meo, P., Liuni, S., Sammeth, M., Picardi, E. & Pesole, G. (2010). Bioinformatics approaches for

genomics and post genomics applications of next-generation sequencing. Brief Bioinform. 11(2), 181-197.

105. Iafrati, A. & Broglia, R. (2010). Comparisons Between 2D+t Potential Flow Models and 3D Rans for Planing Hull Hydrodynamics. International Workshop on Water Waves and Floating Bodies, Harbin (China), May 9-12, 2010.

106. Iemma, U. (2010). On the use of a SIMD vector extension for the fast evaluation of Boundary Element Method coefficients. Adv. Eng. Softw. 41(3), 451-463.

107. Kivimäki, A., Álvarez-Ruiz, J., Coreno, M., Stankiewicz, M., Fronzoni, G., Stener, M. & Decleva, P. (2010). S 2p photoabsorption of the SF5CF3 molecule: Experiment, theory and comparison with SF6. Chem. Phys. 375(1), 101-109.

108. Korica, S., Reinköster, A., Braune, M., Viefhaus, J., Rolles, D., Langer, B., Fronzoni, G., Toffoli, D., Stener, M., Decleva, P., Al-Dossary, O.M. & Becker, U. (2010). Partial photoionization cross sections of C60and C70: A gas versus adsorbed phase comparison. Surf. Sci. 604(21-22), 1940-1944. 109. Kumar, A., Hajjar, E., Ruggerone, P. & Ceccarelli, M. (2010). Molecular Simulations Reveal the Mechanism and the Determinants for Ampicillin

Trans location through OmpF. J. Phys. Chem. B 114(29), 9608-9616.

110. Kumar, A., Hajjar, E., Ruggerone, P. & Ceccarelli, M. (2010). Structural and dynamical properties of the porins OmpF and OmpC: insights from mo-lecular simulations. J. Phys.-Condens. Mat. 22, 454125.

111. Kumar, S., Giovannetti, G., van den Brink, J. & Picozzi, S. (2010). Theoretical prediction of multiferroicity in double perovskite Y2NiMnO6. Phys. Rev. B 82, 134429.

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