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Garbuio, V.; Cascella, M.; Del Sole, R.; Marsili, M.; Pulci, O. (2012). Excited state properties of formamide in water solution: An ab initio study. The Journal of Chemical Physics, 137(16), p. 164317. Melville, N.Y.: American Institute of Physics 10.1063/1.4763980
Collu, F.; Vargiu, A.V.; Dreier, J.; Cascella, M.; Ruggerone, P. (2012). Recognition of Imipenem and Meropenem by the RND-Transporter MexB Studied by Computer Simulations. Journal of the American Chemical Society, 134(46), pp. 19146-19158. Washington, D.C.: American Chemical Society 10.1021/ja307803m
El-Turk, F.; Fauvet, B.; Ashrafi, A.; Ouertatani-Sakouhi, H.; Cho, M.K.; Neri, M.; Cascella, M.; Rothlisberger, U.; Pojer, F.; Zweckstetter, M.; Lashuel, H. (2012). Characterization of Molecular Determinants of the Conformational Stability of Macrophage Migration Inhibitory Factor: Leucine 46 Hydrophobic Pocket. PLoS ONE, 7(9), e45024. Lawrence, Kans.: Public Library of Science 10.1371/journal.pone.0045024
Ravi, H.K.; Simona, F.; Hulliger, J.; Cascella, M. (2012). Molecular Origin of Piezo- and Pyroelectric Properties in Collagen Investigated by Molecular Dynamics Simulations. Journal of physical chemistry - B, 116(6), pp. 1901-1907. Washington, D.C.: American Chemical Society 10.1021/jp208436j
Wigginton, K.R.; Menin, L.; Sigstam, T.; Gannon, G.; Cascella, M.; Ben Hamidane, H.; Tsybin, Y.O.; Waridel, P.; Kohn, T. (2012). UV Radiation Induces Genome-Mediated, Site-Specific Cleavage in Viral Proteins. ChemBioChem, 13(6), pp. 837-845. Weinheim: Wiley-VCH 10.1002/cbic.201100601
Simona, F.; Hai, N.T.M.; Broekmann, P.; Cascella, M. (2011). From Structure to Function: Characterization of Cu(I) Adducts in Leveler Additives by DFT Calculations. The journal of physical chemistry letters, 2(24), pp. 3081-3084. Washington, D.C.: American Chemical Society 10.1021/jz201430h
Cannuccia, E.; Pulci, O.; Del Sole, R.; Cascella, M. (2011). Optical properties of flavin mononucleotide: A QM/MM study of protein environment effects. Chemical physics, 389(1-3), pp. 35-38. Amsterdam: Elsevier 10.1016/j.chemphys.2011.07.020
