publications

161) Moroni, E.; Agard, D.A.; Colombo, G. The structural asymmetry of mitochondrial Hsp90 (Trap1) determines fine tuning of functional dynamics. J. Chem. Theor. Comput. 2018, 14(2), 1033-144

160) Paladino, A.; Marchetti, F.; Ponzoni, L.; Colombo, G. The interplay between structural stability and plasticity determines mutation profiles and chaperone dependence in protein kinases. J. Chem. Theor. Comput. 2018, 14(2), 1059-1070.

159) Pavlin, M.; Spinello, A.; Pennati, M.; Zaffaroni, N.; Gobbi, S.; Bisi, A.; Colombo, G.; Magistrato, A. A computational assay of estrogen receptor a antagonists reveals the key common structural traits of drugs effectively fighting refractory breast cancers. Sci. Rep. 2018, 8, 649

158) Conti Nibali, V.; Morra, G.; Havenith, M.; Colombo, G. Role of THz Fluctuations in the Allosteric Properties of the PDZ Domains. J Phys Chem B. 2017, Oct 9. doi: 10.1021/acs.jpcb.7b06590 (2017)

157) M. Maggi, M.; Mittelman, S.D.; Parmentier, J.H.; Colombo, G.; Meli, M.; Whitmire, J.M.; Merrel, D.S.; Whitelegge, J. ; Scotti, C. A protease-resistant Escherichia coliasparaginase with outstanding stability and enhanced anti-leukaemic activity in vitroScientific Reports 2017, 7, 14479

156)     Bagdany, M.; Veit, G.; Fukuda, R.; Avramescu, R.; Okiyoneda, T.; Baaklini, I.; Singh, J.; Sovak, G.; Xu, A.; Apaja, P.; Sattin, S.; Beitel, L.; Roldan, A.; Colombo, G.; Balch, W.; Young, J.; Lukacs, G. Chaperones Rescue the Energetic Landscape of Mutant CFTR at Single Molecule and in Cell. Nature Communications 2017, 8, 398

155)     Gourlay, L.; Peri, C.; Bolognesi, M.; Colombo, G. Structure and Computation in Immunoreagent Design: From Diagnostics to Vaccines. Trends Biotechnol. 2017 pii: S0167-7799(17)30167-1. doi: 10.1016/j.tibtech.2017.06.018

154)     Capelli, R.; Matterazzo, E.; Amabili, M.; Peri, C.; Gori, A.; Gagni, P.; Chiari, M.; Lertmemongkolchai, G.; Cretich, M.; Bolognesi, M.; Colombo, G.*; Gourlay, L.J. Designing Probes for Immunodiagnostics: Structural Insights into an Epitope Targeting Burkholderia Infections. ACS Infect Dis. 2017, Jul 21. doi: 10.1021/acsinfecdis.7b00080

153)     Gori, A.; Bolognesi, M.; Colombo, G.*; Gourlay, L.J. Structural Vaccinology for Melioidosis Vaccine Design and Immunodiagnostics. Curr. Trop. Med. Rev. 2017, 4(3), 103-110

152)     Paladino, A.; Marchetti, F.; Rinaldi, S.; Colombo, G. Protein Design: From Computer Models to Artificial Intelligence. WIREs Comput Mol Sci 2017, e1318. doi: 10.1002/wcms.1318

151)     Rinaldi, S.; Gori, A.; Annovazzi, C.; Ferrandi, E.E.; Monti, D.; Colombo, G. Unraveling Energy and Dynamics Determinants to Interpret Protein Functional Plasticity: The Limonene-1,2-epoxide-hydrolase Case Study. J. Chem. Inf. Model. 2017, 57(4), 717-725

150)     Masgras, I.; Sanchez-Martin, C.; Colombo, G.; Rasola, A. The Chaperone Trap1 as a Modulator of the Mitochondrial Adaptations in Cancer Cells. Front. Oncol. 2017 7,58 doi: 10.3389/fonc.2017.00058

149)     D’Annessa, I.; Sattin, S.; Tao, J.; Pennati, M.; Sanchez-Martin, C.; Moroni, E.; Rasola, A.; Zaffaroni, N.; Agard, D.A.A.; Bernardi, A.; Colombo, G. Design of allosteric stimulators of the HSP90 ATPase as novel anticancer leads. Chemistry. 2017, 23(22), 5188-5192

148)     Paladino, A.; Civera, M.; Belvisi, L.; Colombo, G. High affinity vs. native fibronectin in the modulation of αvβ3 integrin conformational dynamics: Insights from computational analyses and implications for molecular design. PLoS Computational Biology 2017, 13(1), e1005334

147)     Capelli, R.; Marchetti, F.; Tiana, G.; Colombo, G. SAGE: A Fast Computational Tool for Linear Epitope Grafting onto a Foreign Protein Scaffold. J. Chem. Inf. Model. 2017, 57(1), 6-10

146)     Baptista, S.J.; Silva, M.M.; Moroni, E.; Meli, M.; Colombo, G.*; Dinis, T.C.; Salvador, J.A. Novel PARP-1 Inhibitor Scaffolds Disclosed by a Dynamic Structure-Based Pharmacophore Approach. PLoS One. 2017, 12(1), e0170846

145)     Bertolani, A.; Pizzi, A.; Pirrie, L.; Gazzera, L.; Morra, G.; Meli, M.; Colombo, G.; Genoni, A.; Cavallo, G.; Terraneo, G.; Metrangolo, P. Crystal Structure of the DFNKF Segment of Human Calcitonin Unveils Aromatic Interactions between Phenylalanines. Chemistry. 2017, 23(9), 2051-2058

144)     Meli, M.; Sustarsic, M.; Craggs, T.D.; Kapanidis, A.N.; Colombo, G. DNA Polymerase Conformational Dynamics and the Role of Fidelity-Conferring Residues: Insights from Computational Simulations. Front. Mol. Biosci. 2016, DOI: dx.doi.org/10.3389/fmolb.2016.00020

143)     Sensoy, O.; Moreira, I.; Morra, G. Understanding the Differential Selectivity of Arrestins toward the Phosphorylation State of the Receptor. ACS Chem. Neurosci. 2016, 7(9), 1212–1224

142)     Peri, C.; Gori, A.; Gagni, P.; Sola, L.; Girelli, D.; Sottotetti, S.; Cariani, C.; Chiari, M.; Cretich, M.; Colombo, G. Evolving serodiagnostics by rationally designed peptide arrays: the Burkholderia paradigm in Cystic Fibrosis. Sci. Rep. 2016, 6, 32873

141)     Rehn, A.; Moroni, E.; Zierer, B.K.; Tippel, F.; Morra, G.; John, C.; Richter, K.; Colombo, G.*; Buchner, J. Allosteric regulation points control the conformational dynamics of the molecular chaperone Hsp90. J. Mol. Biol. 2016, 428(22), 4559-4571

140)     Gori, A.; Sola, L.; Gagni, P.; Bruni, G.; Liprino, M.; Peri, C.; Colombo, G.; Cretich, M.; Chiari, M. Screening Complex Biological Samples with Peptide Microarrays: the Favorable Impact of Probe Orientation via Chemoselective Immobilization Strategies on Clickable Polymeric Coatings. Bioconj. Chem. 2016, 27(11), 2669-2677

139)     Sattin, S.; Panza, M.; Vasile, F.; Berni, F.; Goti, G.; Tao, J.; Moroni, E.; Agard, D.A.; Colombo, G.; Bernardi, A. Synthesis of Functionalized 2-(4-Hydroxyphenyl)-3-methylbenzofuran Allosteric Modulators of Hsp90 Activity. European J. Org. Chem. 2016, 20, 3349-3364

138)     Sgrignani, J.; Cavalli, A.; Colombo, G.; Magistrato, A. Enzymatic and Inhibition Mechanism of Human Aromatase (CYP19A1) Enzyme. A Computational Perspective from QM/MM and Classical Molecular Dynamics Simulations. Mini Rev Med Chem. 2016, 16(14), 1112-1124

137)     Sgrignani, J.; De Luca, F.; Torosyan, H.; Docquier, J.-D.; Duan, D.; Novati, B.; Prati, F.; Colombo, G.*; Grazioso, G. Structure-based Approach for Identification of Novel Phenylboronic Acids as Serine-β-Lactamase Inhibitors. J. Comp. Aid. Mol. Des. 2016, 30(10), 851-861

136)     Vettoretti, G.; Moroni, E.; Sattin, S.; Tao, J.; Agard, D.A.A.; Bernardi, A.; Colombo, G. Molecular Dynamics Simulations Reveal the Mechanisms of Allosteric Activation of Hsp90 by Designed Ligands. Sci. Rep. 2016, 6, 23830

135)     Villemot, F.; Capelli, R.; Colombo, G.; van der Vaart, A. Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies. Journal of Chemical Theory and Computation 2016, 12(6), 2779-2789

134)     Peri, C.; Morra, G.; Colombo, G. Surface energetics and protein-protein interactions: analysis and mechanistic implications. Sci. Rep. 2016, 6, 32873

133)     Gori, A.; Peri, C.; Quilici, G.; Nithichanon, A.; Gaudesi, D.; Longhi, R.; Gourlay, L.; Bolognesi, M.; Lertmemongkolchai, G.; Musco, G.; Colombo, G. Flexible vs Rigid Epitope Conformations for Diagnostic- and Vaccine-Oriented Applications: Novel Insights from the Burkholderia pseudomallei BPSL2765 Pal3 Epitope. ACS Infect. Diseases. 2016, 2(3), 221-230

132)     Chiappori, F.; Merelli, I.; Milanesi, L.; Colombo, G.; Morra, G. An atomistic view of Hsp70 allosteric crosstalk: from the nucleotide to the substrate binding domain and back. Sci. Rep. 2016, 6, 23474

131)     Foglieni, C.; Pagano, K.; Lessi, M.; Bugatti, A.; Moroni, E.; Pinessi, D.; Resovi, A.; Ribatti, D.; Bertini, S.; Ragona, L.; Bellina, F.; Rusnati, M.; Colombo, G.*; Taraboletti, G. Integrating computational and chemical biology tools in the discovery of antiangiogenic small molecule ligands of FGF2 derived from endogenous inhibitors. Sci. Rep. 2016, 6, 23830

130)     Capelli, R.; Villemot, F.; Moroni, E.; Tiana, G.; van der Vaart, A.; Colombo, G. Assessment of Mutational Effects on Peptide Stability through Confinement Simulations. J. Phys. Chem. Lett. 2016, 7(1), 126-130

129)     Diana, D.; De Rosa, L.; Palmieri, M.; Russomanno, A.; Russo, L.; La Rosa, C.; Milardi, D.; Colombo, G.; D’Andrea, L.D.; Fattorusso, R. Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic β-hairpin peptide. Sci. Rep. 2015, 5, 16651                                                                                                                                                                                 IF 5.228

128)     Sattin, S.; Tao, J.; Vettoretti, G.; Moroni, E.; Pennati, M.; Lopergolo, A.; Morelli, L.; Bugatti, A.; Zuehlke, A.; Moses, M.; Prince, T.; Kijima, T.; Beebe, K.; Rusnati, M.; Neckers, L.; Zaffaroni, N.; Agard, D.A.; Bernardi, A.; Colombo, G. Activation of Hsp90 enzymatic activity and conformational dynamics through rationally designed allosteric ligands. Chemistry – A European Journal 2015, 21(39), 13598-13608

127)     Ronca, R.; Giacomini, A.; Di Salle, E.; Coltrini, D.; Pagano, K.; Ragona, L.; Matarazzo, S.; Rezzola, S.; Maiolo, D.; Torrella, R.; Moroni, E.; Mazzieri, R.; Escobar, G.; Mor, M.; Colombo, G.*; Presta, M. A long-pentraxin 3 derivative as the first small molecule FGF-Trap for cancer therapy. Cancer Cell 2015, 28(2), 225-239

126)     Paladino, A.; Morra, G.; Colombo, G. Structural stability and flexibility direct the selection of activating mutations in EGFR kinase. J. Chem. Inf. Model. 2015, 55(7), 1377-1387

125)     Moroni, E.; Paladino, A.; Colombo G. The dynamics of drug discovery. Curr. Top. Med. Chem. 2015, 15(20), 2043-2055.

124)     Nithichanon, A.; Rinchai, D.; Gori A.; Lassaux, P.; Peri, C.; Conchillio-Solé, O.; Ferrer-Navarro, M., Gourlay, L.J., Nardini, M., Vila, J., Daura, X., Colombo, G., Bolognesi, M. and Lertmemonkolchai, G. (2015) Sequence- and Structure-based immunoreactive epitope discovery for Burkholderia pseudomallei flagellin. PLOS NTD 2015, 9(7), e0003917

125)    Sgrignani, J.; Novati, B.; Colombo, G.*; Grazioso G. Covalent docking of selected boron-based serine beta-lactamase inhibitors. J. Comput. Aided Mol. Des. 2015, 29(5), 441-450

124)    Gourlay, L.J.; Thomas, R.J.; Peri, C.; Conchillo-Solé, O.; Ferrer-Navarro, M.; Nithichanon, A.; Vila, J.; Daura, X.; Lertmemongkolchai, G.; Titball, R.; Colombo, G.; Bolognesi, M. From crystal structure to in silico epitope discovery in the Burkholderia pseudomallei flagellar hook-associated protein FlgK. FEBS J. 2015, 282(7), 1319-1333.

123)    Zhao, H.; Garg, G.; Zhao, J.; Moroni, E.; Girgis, A.; Franco, L.S.; Singh, S.; Colombo, G.; Blagg, B.S.J. Design, synthesis and biological evaluation of biphenylamide derivatives as Hsp90 C-terminal inhibitors. Eur. J. Med. Chem. 2015, 89, 442-466

122) Gaudesi, D.; Peri, C.; Quilici, G.; Gori, A.; Ferrer-Navarro, M.; Conchillo-Solé, O.; Thomas, R.; Nithichanon, A.; Lertmemongkolchai, G.; Titball, R.; Daura, X.; Colombo, G.*; Musco, G. Structure-based design of a B-cell antigen from B. pseudomallei. ACS Chem. Biol. 2015, 10(3), 803-812

121)    Morra, G.; Genoni, A.; Colombo, G. The mechanisms of differential allosteric modulation in homologous proteins: Insights from the analysis of internal dynamics and energetics of PDZ domains. J. Chem. Theor. And Comput. 2014, 10(12), 5677–5689

120)    Sgrignani, J.; Bon, M.; Colombo, G.; Magistrato, A. Computational approaches elucidate the allosteric mechanism of human aromatase inhibition: a novel possible route to small molecule regulation of CYP450 activities? Journal of Chemical Information and Modeling 2014, 54(10), 2856-2868

119)    Sgrignani, J.; Grazioso, G.; De Amici, M.; Colombo, G. Inactivation of TEM-1 by Avibactam (NXL-104): insights from Quantum Mechanics/Molecular Mechanics metadynamics simulations. Biochemistry 2014, 53(31), 5174-5185

118)    Platonova, N.; Miquel, G.; Chiu, L.-Y.; Taouji, S.; Moroni, E.; Colombo, G.; Chevet, E.; Sue, S.-C.; Bikfalvi, A. Dimerization Capacities of FGF2 Purified with or without Heparin-Affinity Chromatography. PLoS ONE 2014, 9(10), e110055

117)    Pimenta, A.C.; Dourado, D.F.; Martins, J.M.; Melo, A.; Dias Soeiro Cordeiro M.N.; Almeida, R.D.; Morra, G.; Moreira, I.S. Dynamic structure of NGF and proNGF complexed with p75NTR: pro-peptide effect. J Chem Inf Model. 2014, 54(7), 2051-2067

116)    Johner, N.; Mondal, S.; Morra, G.; Caffrey, M.; Weinstein, H.; Khelashvili, G. Protein and lipid interactions driving molecular mechanisms of in meso crystallization. JACS 2014, 136(8), 3271-3284

115)    Meneghini, C.; Leboffe, L.; Bionducci, M.; Fanali, G.; Meli, M.; Colombo, G.; Fasano, M.; Ascenzi, P.; Mobilio, S. The five-to-six-coordination transition of ferric human serum heme-albumin is allosterically-modulated by ibuprofen and warfarin: a combined XAS and MD study. Plos One 2014, 9(8), e104231

114)    Meli, M.; Pagano, K.; Ragona, L.; Colombo, G. Investigating the Dynamic Aspects of Drug-Protein Recognition through a Combination of MD and NMR Analyses: Implications for the Development of Protein-Protein Interaction Inhibitors. Plos One 2014, 9(5), e97153

113)    Moroni, E.; Zhao, H.; Blagg, B.S.J.; Colombo, G. Exploiting conformational dynamics in drug discovery: design of C-terminal inhibitors of Hsp90 with improved activities. Journal of Chemical Information and Modeling 2014, 54(1), 195-208

112)    Zhao, H.; Moroni, E.; Colombo, G.; Blagg, B.S.J. Identification of a new scaffold for Hsp90 C-terminal inhibition. ACS Med. Chem. Lett. 2014, 5(1), 84-88.

111)    Corrada, D.; Colombo, G. Energetic and dynamic aspects of the affinity maturation process: characterizing improved variants from the Bevacizumab antibody with molecular simulations. Journal of Chemical Information and Modeling 2013, 53(11), 2937-2950

110)    Corrada, D.; Morra, G.; Colombo, G. Investigating allostery in molecular recognition: insights from a computational study of multiple antibody-antigen complexes. J. Phys. Chem. B. 2013, 117(12), 535-552.

109) Gourlay, L.J.; Peri, C.; …. Colombo, G.; Bolognesi, M. Exploiting the Burkholderia pseudomallei Acute Phase Antigen BPSL2765 for Structure-Based Epitope Discovery/Design in Structural Vaccinology. Chem Biol 2013, 20(9), 1147-1156

108) Gori, A.; Longhi, R.; Peri, C.; Colombo, G. Peptides for immunological purposes: design, strategies and applications. Amino Acids 2013, 45(2), 257-268

107) Meli, M.; Colombo, G. A Hamiltonian replica exchange MD method for the study of folding, based on the analysis of the stabilization determinants of proteins. International Journal of Molecular Sciences 2013, 14(6), 12157-12169

106) Zhao, H.; Moroni, E.; Yan, B.; Colombo, G.; Blagg, B.S.J. 3D-QSAR-Assisted Design, Synthesis, and Evaluation of Novobiocin Analogues. ACS Med. Chem. Lett. 2013, 4(1), 57-62

105)  Peri, C.; Gagni, P.; Combi, F.; Gori, A.; Chiari, M.; Longhi, R.; Cretich, M.; Colombo, G. Rational epitope design for protein targeting. ACS Chemical Biology 2013, 8(2), 397-404

104) Chiappori, F.; Merelli, I.; Colombo, G.; Milanesi, L.; Morra, G. Molecular mechanisms of allosteric communication in Hsp70 revealed by molecular dynamics simulations. PLoS Comp. Biol 2012, 8(12), e1002844

103) Lassaux, P.; Peri, C.; Ferrer-Navarro, M.; Gourlay, L.; Gori, A.; Conchillo-Solé, O.; Rinchai, D.; Lertmemongkolchai, G.; Longhi, R.; Daura, X.; Colombo, G.; Bolognesi, M. A structure-based strategy for epitope discovery in Burkholderia pseudomallei OppA antigen. Structure 2013, 21, 1-9.

102) Moroni, E.; Morra, G.; Colombo, G. Molecular Dynamics Simulations of Hsp90 with an Eye to Inhibitor Design. Pharmaceuticals 2012, 5(9), 944-962.

101) Porto, C.; Ferrara, M.C.; Meli, M.; Acampora, E.; Avolio, V.; Rosa, M.; Cobucci-Ponzano, B.; Colombo, G.; Moracci, M.; Andria, G.; Parenti, G. Pharmacological Enhancement of al-pha-Glucosidase by the Allosteric Chaperone N-Acetylcysteine. Molecular Therapy 2012, 20(12), 2201-2211.

100) Pagano, K.; Torella, R.; Foglieni, C.; Bugatti, A.; Tomaselli, S.; Zetta, L.; Presta, M.; Rusnati, M.; Taraboletti, G.; Colombo, G.; Ragona, L. Direct and Allosteric Inhibition of the FGF2/HSPGs/FGFR1 Ternary Complex Formation by an Antiangiogenic, Thrombospondin-1-Mimic Small Molecule. Plos One 2012, 7, 11.

99) Morra, G.; Potestio, R.; Micheletti, C.; Colombo, G. Corresponding Functional Dynam-ics across the Hsp90 Chaperone Family: Insights from a Multiscale Analysis of MD Simulations. Plos Computational Biology 2012, 8, 16.

98) Meli, M.; Gasset, M.; Colombo, G. Dynamic Diagnosis of Familial Prion Diseases Supports the beta 2-alpha 2 Loop as a Universal Interference Target. Plos One 2012, 6, 10.

97) Genoni, A.; Pennati, M.; Morra, G.; Zaffaroni, N.; Colombo, G. Ligand selection from the analysis of protein conformational substates: new leads targeting the N-terminal domain of Hsp90. Rsc Advances 2012, 2, 4268-4282.

96) Genoni, A.; Morra, G.; Colombo, G. Identification of Domains in Protein Structures from the Analysis of Intramolecular Interactions. Journal of Physical Chemistry B 2012, 116, 3331-3343.

95) Foglieni, C.; Torella, R.; Bugatti, A.; Pagano, K.; Ragona, L.; Ribatti, D.; Rusnati, M.; Presta, M.; Giavazzi, R.; Colombo, G.; Taraboletti, G. Inhibition of FGF-2 angiogenic activity by novel small molecules mimetic of thrombospondin-1 (TSP-1). Thrombosis Research 2012, 129, S193-S193.

94) Nasica-Labouze, J.; Meli, M.; Derreumaux, P.; Colombo, G.; Mousseau, N. A Multis-cale Approach to Characterize the Early Aggregation Steps of the Amyloid-Forming Peptide GNNQQNY from the Yeast Prion Sup-35. Plos Computational Biology 2011, 7, 18.

93) Mollica, L.; Morra, G.; Colombo, G.; Musco, G. HMGB1-Carbenoxolone Interactions: Dynamics Insights from Combined Nuclear Magnetic Resonance and Molecular Dynamics. Chemistry-an Asian Journal 2011, 6, 1171-1180.

92) Torella, R.; Moroni, E.; Caselle, M.; Morra, G.; Colombo, G. Investigating dynamic and energetic determinants of protein nucleic acid recognition: analysis of the zinc finger zif268-DNA complexes. Bmc Structural Biology 2010, 10, 18.

91) Tomaselli, S.; Meli, M.; Plescia, J.; Zetta, L.; Altieri, D. C.; Colombo, G.; Ragona, L. Combined in Silico and Experimental Approach for Drug Design: The Binding Mode of Peptidic and Non-Peptidic Inhibitors to Hsp90 N-Terminal Domain. Chemical Biology & Drug Design 2010, 76, 382-391.

90) Taraboletti, G.; Rusnati, M.; Ragona, L.; Colombo, G. Targeting tumor angiogenesis with TSP-1-based compounds: rational design of antiangiogenic mimetics of endogenous inhibitors. Oncotarget 2010, 1, 662-673.

89) Soriani, M.; Petit, P.; Grifantini, R.; Petracca, R.; Gancitano, G.; Frigimelica, E.; Nardelli, F.; Garcia, C.; Spinelli, S.; Scarabelli, G.; Fiorucci, S.; Affentranger, R.; Ferrer-Navarro, M.; Zacharias, M.; Colombo, G.; Vuillard, L.; Daura, X.; Grandi, G. Exploiting Antigenic Diversity for Vaccine Design THE CHLAMYDIA ArtJ PARADIGM. Journal of Biological Chemistry 2010, 285, 30126-30138.

88) Scarabelli, G.; Morra, G.; Colombo, G. Predicting Interaction Sites from the Energetics of Isolated Proteins: A New Approach to Epitope Mapping. Biophysical Journal 2010, 98, 1966-1975.

87) Morra, G.; Neves, M. A. C.; Plescia, C. J.; Tsustsumi, S.; Neckers, L.; Verkhivker, G.; Altieri, D. C.; Colombo, G. Dynamics-Based Discovery of Allosteric Inhibitors: Selection of New Ligands for the C-terminal Domain of Hsp90. Journal of Chemical Theory and Computation 2010, 6, 2978-2989.

86) Morra, G.; Genoni, A.; Neves, M. A. C.; Merz, K. M.; Colombo, G. Molecular Recog-nition and Drug-Lead Identification: What Can Molecular Simulations Tell Us? Current Medicinal Chemistry 2010, 17, 25-41.

85) Morra, G.; Baragli, C.; Colombo, G. Selecting sequences that fold into a defined 3D structure: A new approach for protein design based on molecular dynamics and energetics. Biophysical Chemistry 2010, 146, 76-84.

84) Mollapour, M.; Tsutsumi, S.; Donnelly, A. C.; Beebe, K.; Tokita, M. J.; Lee, M. J.; Lee, S.; Morra, G.; Bourboulia, D.; Scroggins, B. T.; Colombo, G.; Blagg, B. S.; Panaretou, B.; Stetler-Stevenson, W. G.; Trepel, J. B.; Piper, P. W.; Prodromou, C.; Pearl, L. H.; Neckers, L. Swe1(Wee1)-Dependent Tyrosine Phosphorylation of Hsp90 Regulates Distinct Facets of Chaperone Function. Mo-lecular Cell 2010, 37, 333-343.

83) Lisa, S.; Meli, M.; Cabello, G.; Gabizon, R.; Colombo, G.; Gasset, M. The structural intolerance of the PrP alpha-fold for polar substitution of the helix-3 methionines. Cellular and Mo-lecular Life Sciences 2010, 67, 2825-2838.

82) Genoni, A.; Morra, G.; Merz, K. M.; Colombo, G. Computational Study of the Resis-tance Shown by the Subtype B/HIV-1 Protease to Currently Known Inhibitors. Biochemistry 2010, 49, 4283-4295.

81) Diana, D.; Ziaco, B.; Scarabelli, G.; Pedone, C.; Colombo, G.; D’Andrea, L. D.; Fatto-russo, R. Structural Analysis of a Helical Peptide Unfolding Pathway. Chemistry-a European Journal 2010, 16, 5400-5407.

80) Colombo, G.; Margosio, B.; Ragona, L.; Neves, M.; Bonifacio, S.; Annis, D. S.; Stra-valaci, M.; Tomaselli, S.; Giavazzi, R.; Rusnati, M.; Presta, M.; Zetta, L.; Mosher, D. F.; Ribatti, D.; Gobbi, M.; Taraboletti, G. Non-peptidic Thrombospondin-1 Mimics as Fibroblast Growth Factor-2 In-hibitors AN INTEGRATED STRATEGY FOR THE DEVELOPMENT OF NEW ANTIANGIO-GENIC COMPOUNDS. Journal of Biological Chemistry 2010, 285, 8733-8742.

79) Bonifacio, S.; Margosio, B.; Ghilardi, C.; Colombo, G.; Ragona, L.; Zetta, L.; Ribatti, D.; Gobbi, M.; Giavazzi, R.; Taraboletti, G. The FGF-2 binding domain of thrombospondin-1: func-tional characterization and exploitation to design antiangiogenic compounds. Ejc Supplements 2010, 8, 117-118.

78) Verkhivker, G. M.; Dixit, A.; Morra, G.; Colombo, G. Structural and Computational Biology of the Molecular Chaperone Hsp90: From Understanding Molecular Mechanisms to Com-puter-Based Inhibitor Design. Current Topics in Medicinal Chemistry 2009, 9, 1369-1385.

77) Neves, M. A. C.; Dinis, T. C. P.; Colombo, G.; Melo, M. Fast Three Dimensional Pharmacophore Virtual Screening of New Potent Non-Steroid Aromatase Inhibitors. Journal of Me-dicinal Chemistry 2009, 52, 143-150.

76) Neves, M. A. C.; Dinis, T. C. P.; Colombo, G.; Melo, M. An efficient steroid pharma-cophore-based strategy to identify new aromatase inhibitors. European Journal of Medicinal Chemistry 2009, 44, 4121-4127.

75) Neves, M.; Dinis, T.; Colombo, G.; Melo, M. LIGAND-BASED DESIGN AND BIO-CHEMICAL EVALUATION OF NEW POTENT AROMATASE INHIBITORS. Drugs of the Future 2009, 34, 98-98.

74) Morra, G.; Verkhivker, G.; Colombo, G. Modeling Signal Propagation Mechanisms and Ligand-Based Conformational Dynamics of the Hsp90 Molecular Chaperone Full-Length Dimer. Plos Computational Biology 2009, 5, 16.

73) Moroni, E.; Scarabelli, G.; Colombo, G. Structure and sequence determinants of aggre-gation investigated with molecular dynamics. Frontiers in Bioscience 2009, 14, 523-U5.

72) Kang, B. H.; Plescia, J.; Song, H. Y.; Meli, M.; Colombo, G.; Beebe, K.; Scroggins, B.; Neckers, L.; Altieri, D. C. Combinatorial drug design targeting multiple cancer signaling networks con-trolled by mitochondrial Hsp90. Journal of Clinical Investigation 2009, 119, 454-464.

71) Gourlay, L. J.; Colombo, G.; Soriani, M.; Grandi, G.; Daura, X.; Bolognesi, M. Why is a protective antigen protective? Human Vaccines 2009, 5, 872-875.

70) Colombo, G.; Meli, M.; Morra, G.; Gabizon, R.; Gasset, M. Methionine Sulfoxides on Prion Protein Helix-3 Switch on the alpha-Fold Destabilization Required for Conversion. Plos One 2009, 4, 11.

69) Bracci, A.; Colombo, G.; Ronchetti, F.; Compostella, F. 2 ‘-O-Alkyl Derivatives and 5 ‘-Analogues of 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranoside (AICAR) as Potential Hsp90 Inhibitors. European Journal of Organic Chemistry 2009, 5913-5919.

68) Pastori, C.; Clivio, A.; Diomede, L.; Consonni, R.; De Mori, G. M. S.; Longhi, R.; Co-lombo, G.; Lopalco, L. Two amino acid substitutions within the first external loop of CCR5 induce human immunodeficiency virus-blocking antibodies in mice and chickens. Journal of Virology 2008, 82, 4125-4134.

67) Neves, M. A. C.; Dinis, T. C. P.; Colombo, G.; Melo, M. Biochemical and computa-tional insights into the anti-aromatase activity of natural catechol estrogens. Journal of Steroid Bio-chemistry and Molecular Biology 2008, 110, 10-17.

66) Morra, G.; Meli, M.; Colombo, G. Molecular dynamics simulations of proteins and peptides: From folding to drug design. Current Protein & Peptide Science 2008, 9, 181-196.

65) Morra, G.; Colombo, G. Relationship between energy distribution and fold stability: Insights from molecular dynamics simulations of native and mutant proteins. Proteins-Structure Func-tion and Bioinformatics 2008, 72, 660-672.

64) Monticelli, L.; Sorin, E. J.; Tieleman, D. P.; Pande, V. S.; Colombo, G. Molecular simulation of multistate peptide dynamics: A comparison between microsecond timescale sampling and multiple shorter trajectories. Journal of Computational Chemistry 2008, 29, 1740-1752.

63) Meli, M.; Morra, G.; Colombo, G. Investigating the mechanism of peptide aggregation: Insights from mixed Monte Carlo-Molecular dynamics simulations. Biophysical Journal 2008, 94, 4414-4426.

62) Esteras-Chopo, A.; Morra, G.; Moroni, E.; Serrano, L.; de la Paz, M. L.; Colombo, G. A Molecular Dynamics Study of the Interaction of D-Peptide Amyloid Inhibitors with Their Target Se-quence Reveals a Potential Inhibitory Pharmacophore Conformation. Journal of Molecular Biology 2008, 383, 266-280.

61) Diana, D.; Ziaco, B.; Colombo, G.; Scarabelli, G.; Romanelli, A.; Pedone, C.; Fatto-russo, R.; D’Andrea, L. D. The unusual helix stability of a VEGF mimetic peptide. J. Peptide Sci. 2008, 14, 171.

60) Diana, D.; Ziaco, B.; Colombo, G.; Scarabelli, G.; Romanelli, A.; Pedone, C.; Fatto-russo, R.; D’Andrea, L. D. Structural determinants of the unusual helix stability of a De Novo engi-neered vascular endothelial growth factor (VEGF) mimicking peptide. Chemistry-a European Journal 2008, 14, 4164-4166.

59) Colombo, G.; Morra, G.; Meli, M.; Verkhivker, G. Understanding ligand-based modu-lation of the Hsp90 molecular chaperone dynamics at atomic resolution. Proceedings of the National Academy of Sciences of the United States of America 2008, 105, 7976-7981.

58) Colombo, G.; Meli, M.; De Simone, A. Computational studies of the structure, dynam-ics and native content of amyloid-like fibrils of ribonuclease A. Proteins-Structure Function and Bioin-formatics 2008, 70, 863-872.

57) Pontiggia, F.; Colombo, G.; Micheletti, C.; Orland, H. Anharmonicity and self-similarity of the free energy landscape of protein G. Physical Review Letters 2007, 98, 4.

56) Neves, M. A. C.; Dinis, T. C. P.; Colombo, G.; Melo, M. L. S. Combining computa-tional and biochemical studies for a rationale on the anti-aromatase activity of natural polyphenols. Chemmedchem 2007, 2, 1750-1762.

55) Neves, M. A. C.; Colombo, G.; Sae Melo, M. L.; Dinis, T. C. P. The dual role of catechol oestrogen metabolites in breast cancer: Potent pro-oxidants and aromatase inhibitors. Free Radical Research 2007, 41, S44-S44.

54) Gazit, E.; della Bruna, P.; Pieraccini, S.; Colombo, G. The molecular dynamics of as-sembly of the ubiquitous aortic medial amyloidal medin fragment. Journal of Molecular Graphics & Modelling 2007, 25, 903-911.

53) Colombo, G.; Soto, P.; Gazit, E. Peptide self-assembly at the nanoscale: a challenging target for computational and experimental biotechnology. Trends in Biotechnology 2007, 25, 211-218.

52) Pieraccini, S.; Sironi, M.; Colombo, G. Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity. Chemical Physics Letters 2006, 418, 373-376.

51) Pennati, M.; Meli, M.; Curto, M.; Daidone, M. G.; Plescia, J.; Toba, S.; Altieri, D. C.; Zaffaroni, N.; Colombo, G. AICAR: A rational identified small molecule targeting Hsp90 chaperone function in cancer cells. Ejc Supplements 2006, 4, 110-110.

50) Monticelli, L.; Simoes, C.; Belvisi, L.; Colombo, G. Assessing the influence of electro-static schemes on molecular dynamics simulations of secondary structure forming peptides. Journal of Physics-Condensed Matter 2006, 18, S329-S345.

49) Meli, M.; Pennati, M.; Curto, M.; Daidone, M. G.; Plescia, J.; Toba, S.; Altieri, D. C.; Zaffaroni, N.; Colombo, G. Small-molecule targeting of heat shock protein 90 chaperone function: Ra-tional identification of a new anticancer lead. Journal of Medicinal Chemistry 2006, 49, 7721-7730.

48) Lopalco, L.; Pastori, C.; Bomsel, M.; Clivio, A.; Alberti, C.; Diomede, L.; Longhi, R.; Colombo, G.; Consonni, R.; Lazzarin, A. Human and chicken antibodies to CCR5-ECL1 block mu-cosal and systemic HIV infection. Retrovirology 2006, 3, 1.

47) Gyurkocza, B.; Plescia, J.; Raskett, C. M.; Garlick, D. S.; Lowry, P. A.; Carter, B. Z.; Andreeff, M.; Meli, M.; Colombo, G.; Altieri, D. C. Antileukemic activity of shepherdin and molecu-lar diversity of Hsp90 inhibitors. Journal of the National Cancer Institute 2006, 98, 1068-1077.

46) Flock, D.; Colacino, S.; Colombo, G.; Di Nola, A. Misfolding of the amyloid beta-protein: A molecular dynamics study. Proteins-Structure Function and Bioinformatics 2006, 62, 183-192.

45) Di Matteo, P.; Curnis, F.; Longhi, R.; Colombo, G.; Sacchi, A.; Crippa, L.; Protti, M. P.; Ponzoni, M.; Toma, S.; Corti, A. Immunogenic and structural properties of the Asn-Gly-Arg (NGR) tumor neovasculature-homing motif. Molecular Immunology 2006, 43, 1509-1518.

44) Colombo, G.; Micheletti, C. Protein folding simulations: combining coarse-grained models and all-atom molecular dynamics. Theoretical Chemistry Accounts 2006, 116, 75-86.

43) Colacino, S.; Tiana, G.; Colombo, G. Similar folds with different stabilization mecha-nisms: the cases of prion and doppel proteins. Bmc Structural Biology 2006, 6, 15.

42) Colacino, S.; Tiana, G.; Broglia, R. A.; Colombo, G. The determinants of stability in the human prion protein: Insights into folding and misfolding from the analysis of the change in the stabilization energy distribution in different conditions. Proteins-Structure Function and Bioinformat-ics 2006, 62, 698-707.

41) Roccatano, D.; Fioroni, M.; Zacharias, M.; Colombo, G. Effect of hexafluoroisopro-panol alcohol on the structure of melittin: A molecular dynamics simulation study. Protein Science 2005, 14, 2582-2589.

40) Ragona, L.; Colombo, G.; Catalano, M.; Molinari, H. Determinants of protein stability and folding: Comparative analysis of beta-lactoglobulins and liver basic fatty acid binding protein. Proteins-Structure Function and Bioinformatics 2005, 61, 366-376.

39) Plescia, J.; Salz, W.; Xia, F.; Pennati, M.; Zaffaroni, N.; Daidone, M. G.; Meli, M.; Dohi, T.; Fortugno, P.; Nefedova, Y.; Gabrilovich, D. I.; Colombo, G.; Altieri, D. C. Rational design of shepherdin, a novel anticancer agent. Cancer Cell 2005, 7, 457-468.

38) Monticelli, L.; Tieleman, D. P.; Colombo, G. Mechanism of helix nucleation and propagation: Microscopic view from microsecond time scale MD simulations. Journal of Physical Chemistry B 2005, 109, 20064-20067.

37) Monticelli, L.; Tieleman, D. P.; Colombo, G. Analyzing the free energy landscape of natural peptides: Insights from atomistic MD Simulations. Biophysical Journal 2005, 88, 216A-216A.

36) Gyurkocza, B.; Plescia, J.; Toke, M.; Greiner, D.; Colombo, G.; Lowry, P. A.; Altieri, D. C. Antileukemic activity of shepherdin, a novel targeted inhibitor of the survivin-HSP90 complex. Blood 2005, 106, 74A-74A.

35) Fogolari, F.; Tosatto, S. C. E.; Colombo, G. A decoy set for the thermostable subdo-main from chicken villin headpiece, comparison of different free energy estimators. Bmc Bioinformat-ics 2005, 6, 13.

34) De Mori, G. M. S.; Meli, M.; Monticelli, L.; Colombo, G. Folding and mis-folding of peptides and proteins: Insights from molecular simulations. Mini-Reviews in Medicinal Chemistry 2005, 5, 353-359.

33) De Mori, G. M. S.; Colombo, G.; Micheletti, C. Study of the villin headpiece folding dynamics by combining coarse-grained Monte Carlo evolution and all-atom molecular dynamics. Pro-teins-Structure Function and Bioinformatics 2005, 58, 459-471.

32) de la Paz, M. L.; de Mori, G. M. S.; Serrano, L.; Colombo, G. Sequence dependence of amyloid fibril formation: Insights from molecular dynamics simulations. Journal of Molecular Biology 2005, 349, 583-596.

31) Colombo, G.; Meli, M.; Canada, J.; Asensio, J. L.; Jimenez-Barbero, J. A dynamic per-spective on the molecular recognition of chitooligosaccharide ligands by hevein domains. Carbohy-drate Research 2005, 340, 1039-1049.

30) Colombo, G.; Daidone, I.; Gazit, E.; Amadei, A.; Di Nola, A. Molecular dynamics simulation of the aggregation of the core-recognition motif of the islet amylolid polypeptide in explicit water. Proteins-Structure Function and Bioinformatics 2005, 59, 519-527.

29) Castiglione, F.; Marazzi, A.; Meli, M.; Colombo, G. Structure elucidation and 3D solu-tion conformation of the antibiotic enduracidin determined by NMR spectroscopy and molecular dy-namics. Magnetic Resonance in Chemistry 2005, 43, 603-610.

28) Tiana, G.; Simona, F.; De Mori, G. M. S.; Broglia, R. A.; Colombo, G. Understanding the determinants of stability and folding of small globular proteins from their energetics. Protein Sci-ence 2004, 13, 113-124.

27) Tiana, G.; Simona, F.; Brogliaa, R. A.; Colombo, G. Thermodynamics of beta-amyloid fibril formation. Journal of Chemical Physics 2004, 120, 8307-8317.

26) Soto, P.; Colombo, G. Characterization of the conformational space of a triple-stranded beta-sheet forming peptide with molecular dynamics simulations. Proteins-Structure Function and Bio-informatics 2004, 57, 734-746.

25) Simona, F.; Tiana, G.; Broglia, R. A.; Colombo, G. Modeling the alpha-helix to beta-hairpin transition mechanism and the formation of oligomeric aggregates of the fibrillogenic peptide A beta(12-28): insights from all-atom molecular dynamics simulations. Journal of Molecular Graphics & Modelling 2004, 23, 263-273.

24) Monticelli, L.; Colombo, G. The influence of simulation conditions in molecular dy-namics investigations of model beta-sheet peptides. Theoretical Chemistry Accounts 2004, 112, 145-157.

23) De Mori, G. M. S.; Micheletti, C.; Colombo, G. All-atom folding simulations of the vil-lin headpiece from stochastically selected coarse-grained structures. Journal of Physical Chemistry B 2004, 108, 12267-12270.

22) Daidone, I.; Simona, F.; Roccatano, D.; Broglia, R. A.; Tiana, G.; Colombo, G.; Di Nola, A. beta-hairpin conformation of fibrillogenic peptides: Structure and alpha-beta transition mechanism revealed by molecular dynamics simulations. Proteins-Structure Function and Bioinfor-matics 2004, 57, 198-204.

21) Colombo, G.; Riva, S.; Danieli, B. Remote control of enzyme selectivity: the case of stevioside and steviolbioside. Tetrahedron 2004, 60, 741-746.

20) Colombo, G.; Meli, M.; Canada, J.; Asensio, J. L.; Jimenez-Barbero, J. Toward the un-derstanding of the structure and dynamics of protein-carbohydrate interactions: molecular dynamics studies of the complexes between hevein and oligosaccharidic ligands. Carbohydrate Research 2004, 339, 985-994.

19) Volonterio, A.; Bellosta, S.; Bravin, F.; Bellucci, M. C.; Bruche, L.; Colombo, G.; Malpezzi, L.; Mazzini, S.; Meille, S. V.; Meli, M.; de Arellano, C. R.; Zanda, M. Synthesis, structure and conformation of partially-modified retro- and retro-inverso psi NHCH(CF3) Gly peptides. Chemis-try-a European Journal 2003, 9, 4510-4522.

18) Consonni, R.; Arosio, I.; Recca, T.; Longhi, R.; Colombo, G.; Vanoni, M. Structure de-termination and dynamics of peptides overlapping the catalytic hairpin of the Ras-specific GEF Cdc25(Mm). Biochemistry 2003, 42, 12154-12162.

17) Colombo, G.; Marrink, S. J.; Mark, A. E. Simulation of MscL Gating in a bilayer under stress. Biophysical Journal 2003, 84, 2331-2337.

16) Colombo, G.; De Mori, G. M. S.; Roccatano, D. Interplay between hydrophobic cluster and loop propensity in beta-hairpin formation: A mechanistic study. Protein Science 2003, 12, 538-550.

15) Roccatano, D.; Colombo, G.; Fioroni, M.; Mark, A. E. Mechanism by which 2,2,2-trifluoroethanol/water mixtures stabilize secondary-structure formation in peptides: A molecular dy-namics study. Proceedings of the National Academy of Sciences of the United States of America 2002, 99, 12179-12184.

14) De Filippis, V.; Colombo, G.; Russo, I.; Spadari, B.; Fontana, A. Probing the hirudin-thrombin interaction by incorporation of noncoded amino acids and molecular dynamics simulation. Biochemistry 2002, 41, 13556-13569.

13) Colombo, G.; Roccatano, D.; Mark, A. E. Folding and stability of the three-stranded beta-sheet peptide betanova: Insights from molecular dynamics simulations. Proteins-Structure Func-tion and Genetics 2002, 46, 380-392.

12) Colombo, G.; Curnis, F.; De Mori, G. M. S.; Gasparri, A.; Longoni, C.; Sacchi, A.; Longhi, R.; Corti, A. Structure-activity relationships of linear and cyclic peptides containing the NGR tumor-homing motif. Journal of Biological Chemistry 2002, 277, 47891-47897.

11) Colombo, G.; Carrea, G. Modeling enzyme reactivity in organic solvents and water through computer simulations. Journal of Biotechnology 2002, 96, 23-33.

10) De Amici, M.; De Micheli, C.; Kassi, L.; Carrea, G.; Ottolina, G.; Colombo, G. beta(3)-adrenergic receptor ligands: insight into structure-activity relationships using Monte-Carlo conforma-tional analysis in water. Tetrahedron 2001, 57, 1849-1855.

9) Bernardi, A.; Galgano, M.; Belvisi, L.; Colombo, G. Simulation of carbohydrate-protein interactions: Computer-aided design of a second generation GM1 mimic. Journal of Computer-Aided Molecular Design 2001, 15, 117-128.

8) Colombo, G.; Ottolina, G.; Carrea, G.; Merz, K. M. Modelling the enantioselectivity of subtilisin in water and organic solvents: insights from molecular dynamics and quantum mechani-cal/molecular mechanical studies. Chemical Communications 2000, 559-560.

7) Colombo, G.; Ottolina, G.; Carrea, G. Modelling of enzyme properties in organic sol-vents. Monatshefte Fur Chemie 2000, 131, 527-547.

6) Carrea, G.; Colombo, G. Coupling high enzyme activity and stability: a challenging tar-get. Trends in Biotechnology 2000, 18, 401-402.

5) Toba, S.; Colombo, G.; Merz, K. M. Solvent dynamics and mechanism of proton trans-fer in human carbonic anhydrase II. Journal of the American Chemical Society 1999, 121, 2290-2302.

4) Colombo, G.; Toba, S.; Merz, K. M. Rationalization of the enantioselectivity of subtil-isin in DMF. Journal of the American Chemical Society 1999, 121, 3486-3493.

3) Colombo, G.; Merz, K. M. Stability and activity of mesophilic subtilisin E and its ther-mophilic homolog: Insights from molecular dynamics simulations. Journal of the American Chemical Society 1999, 121, 6895-6903.

2) Colombo, G.; Ottolina, G.; Carrea, G.; Bernardi, A.; Scolastico, C. Application of struc-ture-based thermodynamic calculations to the rationalization of the enantioselectivity of subtilisin in organic solvents. Tetrahedron-Asymmetry 1998, 9, 1205-1214.

(1) Bernardi, A.; Colombo, G.; Scolastico, C. Enantioselective Mukaiyama-Michael reac-tions of 2-carbomethoxy cyclopentenone catalyzed by chiral bis(oxazoline)-Cu(II) complexes. Tetra-hedron Letters 1996, 37, 8921-8924.

G. Colombo for Sagoma S.r.L. (www.sagoma.com): Genoma Sarà Lei, published on line on October 2000.

BOOK CHAPTERS

Colombo, G. Computational Design of New Biomolecules for Organic Chemistry. In Seminars in Or-ganic Chemistry, XXXVII Summer School ‘E. Corbella’, Società Chimica Italiana Editor, 2012, pp. 32-64.

Shea, J.-E.; Colombo, G. Inhibiting peptide and protein self aggregation: What can simulations tell us? In Alzheimer’s Disease: Insights into Low Molecular Weight and Cytotoxic Aggregates from In Vitro and Computer Experiments – Molecular Basis of Amyloid-β Protein Aggregation and Fibril Forma-tion; Derreumaux, P.; Ed.; Molecular Medicine and Medicinal Chemistry; Imperial College Press: London, UK, 2012; Vol 7. Pub. date: Scheduled Fall 2012.

Morra, G.; Genoni, A.; Colombo, G. Protein dynamics and drug design: the role of molecular simula-tions. In Protein-Protein Complexes – Analysis, Modeling and Drug Design. Ed. Martin Zacharias. Imperial College Press. ISBN 978-1-84816-338-6

Meli, M. and Colombo, G. Molecular simulations of peptides: a useful tool for the development of new drugs and for the study of molecular recognition. In Peptide Microarrays. Eds. Marina Cretich and Marcella Chiari. Humana Press. ISBN 978-1-60327-393-0

Colombo, G.; Meli, M.; Carrea, G.; Enzyme reactivity studied by Computer simulations. In Handbook of theoretical and computational Nanotechnology, pp 260-300, Eds. Michael Rieth and Wolfram Schommers, American Scientific Publishers, 2006. ISBN 1-58883-048-9

Colombo, G.; Folding and mis-folding of peptides and proteins: Insights from molecular simulations. In Mem. S.A. It., Suppl. Nr. 4, 2004, 24-36

Ottolina, G.; Secundo, F.; Colombo, G.; Carrea, G. In Optimization of Enantiomeric Resolutions Through Solvent Selection. Book section in Enzymes in non-aqueous media”, Ed. John Walker, Hu-mana Press, Inc.