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Multiscale Molecular Modeling
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Laboratorio MOSE
MOSE: The Research Activity   
The MOSE laboratory is active within the Department of Engineering and Architecture (DEA)  since 1995 and deals with theory, simulation, modeling, and experiment in the areas of materials and life science.
Life Science

Life Science Molecular modeling in the field of life sciences including techniques and methods for drug design, for virus inhibition and development of new molecular assembly for the bioscience, the development of new drugs, the understanding of physical chemistry and thermodynamics in physiological processes.
Materials Science

Material Science Multiscale molecular modeling in the field of material science, spanning from quantum mechanics to micro finite elements. Message passing integrated techniques allow the determination of ninding energies at atomistic level (MD and MC) and mesoscale structures at nanoscale level.

Monthly highlights

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 Life Science: current year publications

Anticancer drug delivery systems based on specific interactions between albumin and polyglicerol , Beiranvand Z, Bani F, Kakanejadifard A, Laurini E, Fermeglia M, Pricl S, Adeli M., RSC Advances, 2016;6:11266-11277.
Structure and binding thermodynamics of viologen-phosphorous dendrimers to human serum albumin: a combined computational/experimental investigation. , E. Laurini, D. Marson, P. Posocco, M. Fermeglia, S. Pricl, Fluid Phase Equilibria, 2016;422:18-31
Mastering Dendrimer Self-Assembly for Effi cient siRNA Delivery: From Conceptual Design to In Vivo Effi cient Gene Silencing , Chen C, Posocco P., Liu X., Cheng Q.,Laurini E., Zhou J., Liu C., Wang Y., Tang J., Dal Col V., Yu T., Giorgio S., Fermeglia M., Qu F., Liang Z., Rossi J.J., Liu M., Rocchi P., Pricl S., Peng L., Small, DOI: 10.1002/smll.201503866
A combined in silico/in vitro approach unveils common molecular requirements for efficient BVDV RdRp binding of linear aromatic N-polycyclic systems , A. Carta, I. Briguglio, S. Piras, P. Corona, R. Ibba, E. Laurini, M. Fermeglia, S. Pricl, N. Desideri, E.M. Atzori, P. La Colla, G. Collu, I. Delogu, R. Loddo, European Journal of Medicinal Chemistry, 117 (2016): 321-334
Smoothened (SMO) receptor mutations dictate resistance to vismodegib in basal cell carcinoma , Pricl S, Cortelazzi B, Dal Col V, Marson D, Laurini E, Fermeglia M, Licitra L, Pilotti S, Bossi P, Perrone F, Molecular Oncology, 2015;9(2):389-397.
Cationic carbosilane dendrimers and oligonucleotide binding: an energetic affair , Marson D, Laurini E, Poocco P, Fermeglia M, Pricl S, Nanoscale, 2015;7(9):3876-3887.
A step forward in the sigma enigma: a role for chirality in the sigma1 receptor–ligand interaction? , Rossi D, Marra A, Rui M, Laurini E, Fermeglia M, Pricl S, Schepmann D, Wuensch B, Peviani M, Curti D, Collina S.,, MedChemComm, 2015,6,138-146.
Improving selectivity preserving affinity: New piperidine-4-carboxamide derivatives as effective sigma-1-ligands. , Zampieri D,, Laurin E, Vio L, Fermeglia M, Pricl S, Wuensch B, Schepmann D, Mamolo MG.,, European Journal of Medicinal Chemistry, 2015;90:797-808.
Anticancer drug nanomicelles formed by self-assembling amphiphilic dendrimer to combat cancer drug resistance. , Wei T, Chen C, Liu J, Liu C, Posocco P, Liu X, Cheng Q, Huo S, Liang Z, Fermeglia M, Pricl S, Liang X, Rocchi P, Peng L., Proceedings of the National Academy of Science (PNAS), 2015;112(10):2978-2983.
Hitting the right spot: Mechanism of action of OPB-31121, a novel and potent inhibitor of the Signal Transducer and Activator of Transcription 3 (STAT3) , Brambilla L, Genini D, Laurini E, Merulla J, Perez L, Fermeglia M, Carbone GM, Pricl S, Catapano CV, Molecular Oncology, 2015;9(6):1194-1206.
Structure-activity relationship study of dendriric polyglycerolamines for efficient siRNA transfection , Mehrabadi, FS, Hirsch, O, Zeisig, R, Posocco, P, Laurini E, Pricl, S, Haag, R, Kemmer, W, Calderon. M., RSC Advances, 2015;5(96):78760-78770.
Targeting sequencing approach intended to discover new mutations in non.syndromic intellectual disability , Morgan A, Gandin I, Belcaro C, Palumbo P, Palumbo O, Biamino E, Dal Col V, Laurini E, Pricl S, Bosco P, Carella M, Ferrero GB, Romano C, D'Adamo AP, Faletra F, Vozzi D., Mutation Research, 2015;781:32-36.
Synthesis, citotoxicity and antiviral evaluation of new sereis of imidazo[4,5-g]quinoline and pyrido[2,3-g]quinoxalinone derivatives , Briguglio I, Loddo R, Laurini E, Fermeglia M, Piras S, Corona P, Giunchedi P, Gavini E, Sanna G, Giliberti G, Ibba C, Farci P, La Colla P, Pricl S, Carta A., European Journal of Medicinal Chemistry, 2015;105:63-79.
View full list of Life Science publications

 Material Science: current year publications

Interfacial tension of oil/water emulsions with mixed non-ionic surfactants: comparison between experiments and molecular simulations , Posocco P, Perazzo A, Preziosi V, Laurini E, Pricl S, Guido S., RSC Advances, 2016;6:4723-4729.
Highly grafted polystyrene/polyvinylpyridine polymer gold nanoparticles in a good solvent: effects of chain length and composition , Z. Posel, P. Posocco, M. Lısal, M. Fermeglia, S. Pricl, Soft Matter, 12 (2016):3600-3611
Peculiarities in the structure-properties relationship of epoxy-silica hybrids with highly organic siloxane domains. , Piscitelli M, Buonocore G, Lavorgna M, Verdolotti L, Pricl S, Gentile G, Mascia L., Polymer, 2015;63:222-229.
Anomerization of acrylated glucose during traveling wave ion mobility spectrometry , Chendo C, Moreira G, Tintaru A, Posocco P, Laurini E, Lefay C, Gigmes D, Viel S, Pricl S, Charles L., Journal of the American Society for Mass Spectroscopy, 2015;26(9):1483-1493.
View full list of Material Science publications
The MOSE Laboratory - University of Trieste - Piazzale Europa 1 - 34127 Trieste - ITALY
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