1. L.B. Wright, P. M. Rodger, S. Corni, and T.R. Walsh, “GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)”. J. Chem. Theory Comp. 9, 1616 (2013). DOI:10.1021/ct301018m
2. M.E. Siwko and S. Corni. “Cytochrome C on a gold surface: investigating structural relaxations and their role for protein-surface electron transfer by molecular dynamics simulations”. Phys. Chem. Chem. Phys. 15, 5945 (2013). DOI:10.1039/C3CP00146F
3. O. Carrillo-Parramon, G. Brancolini, and S. Corni, “Simulation of Protein-Surface Interactions by a Coarse-Grained Method”. BioNanoScience 3,12 (2013). DOI:10.1007/s12668-012-0073-2
4. L. Paltrinieri, M. Borsari, A. Ranieri, G. Battistuzzi, S. Corni, and C.A. Bortolotti, “The Active Site Loop Modulates the Reorganization Energy of Blue Copper Proteins by Controlling the Dynamic Interplay with Solvent”. J. Phys. Chem. Lett. 4, 710 (2013). DOI: 10.1021/jz302125k
5. S.P. Hancock, T. Ghane, D. Cascio, R. Rohs, R. Di Felice, and R.C. Johnson, “Control of DNA minor groove width and Fis protein binding by the purine 2-amino group”. NUCLEIC ACIDS RESEARCH 41, 6750-6760 (2013). DOI: 10.1093/nar/gkt357
6. W. Sun, S. Corni, and R. Di Felice, “Reactivity of the ZnS (101̅0) Surface to Small Organic Ligands by Density Functional Theory”. J. Phys. Chem. C 117, 16034 (2013). DOI: 10.1021/jp404736h
7. S. Corni, M. Hnilova, C. Tamerler, and M. Sarikaya, “Conformational Behavior of Genetically-Engineered Dodecapeptides as a Determinant of Binding Affinity for Gold”. J. Phys. Chem. C 117, 16990 (2013). DOI: 10.1021/jp404057h
8. M. Rosa, S. Corni, and R. Di Felice, “The interaction of nucleic acid bases with the Au (111) surface”. J. Chem. Th. Comp. 9, 4552 (2013). DOI: 10.1021/ct4002416
9. P.O. Heidarsson, M.R. Otazo, L. Bellucci, A. Mossa, A. Imparato, E. Paci, S. Corni, R. Di Felice, B.B. Kragelund, and C. Cecconi, “Single-Molecule Folding Mechanism of an EF-Hand Neuronal Calcium Sensor”. Structure 21, 1812 (2013). DOI: 10.1016/j.str.2013.07.022
10. G. Brancolini, A. Migliore, S. Corni, M. Fuentes-Cabrera, F.J. Luque, and R. Di Felice, “Dynamical Treatment of Charge Transfer through Duplex Nucleic Acids Containing Modified Adenines”. ACS Nano 7, 9396 (2013). DOI: 10.1021/nn404165y
11. S. Casalini, M. Berto, F. Leonardi, A. Operamolla, C.A. Bortolotti, M. Borsari, W. Sun, R. Di Felice, S. Corni, C. Albonetti, O. Hassan Omar, G. Farinola, and F. Biscarini, “Self-Assembly of mono- and bi-dentate oligoarylene thiols onto polycrystalline Au”. Langmuir 29, 13198 (2013). DOI: 10.1021/la402217c
12. L. Bellucci, S. Corni, R. Di Felice, and E. Paci, “The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations”. PLoS One 8, e74383 (2013). DOI: 10.1371/journal.pone.0074383
13. M. Rosa, W. Sun, and R. Di Felice, “Interaction of DNA Bases with Gold Substrates”. J. Self-Assembl. & Mol. Elec. 1, 41 (2013). DOI: 10.3390/ijms14022303
14. L.B. Wright, P.M. Rodger, T.R. Walsh, and S. Corni, “First-principles-based force field for the interaction of proteins with Au(100)(5 × 1): An extension of GolP-CHARMM”. J Phys Chem C 117, 24292 (2013). DOI: 10.1021/jp4061329
15. G. Givaja, O. Castillo, E. Mateo, A. Gallego, C.J. Gómez-García, A. Calzolari, R. Di Felice, and F. Zamora, “Electrical Behaviour of Heterobimetallic [MM′(EtCS2)4] (MM′=NiPd, NiPt, PdPt) and MM′X-Chain Polymers [PtM(EtCS2)4I] (M=Ni, Pd)”. Chem. Eur. J. 18, 15476 (2012). DOI: 10.1002/chem.201200995
16. M.H. Lee, G. Brancolini, R. Gutierrez, R. Di Felice, and G. Cuniberti, “Probing Charge Transport in Oxidatively Damaged DNA Sequences under the Influence of Structural Fluctuations”. J. Phys. Chem. B 116, 10977 (2012). DOI: 10.1021/jp2091544
17. C.A. Bortolotti, A. Amadei, M. Aschi, M. Borsari, S. Corni, M. Sola, and I. Daidone, “The reversible opening of water channels in cytochrome c modulates the heme iron reduction potential”, J. Am. Chem. Soc. 134, 13670 (2012). DOI: 10.1021/ja3030356
18. T. Ghane, D. Varsano, and R. Di Felice, “Optical Properties of Triplex DNA from Time-Dependent Density Functional Theory”. J. Phys. Chem. B 116, 10693 (2012). DOI: 10.1021/jp304818s
19. M. Rosa, S. Corni, and R. Di Felice, “A density functional theory study of cytosine on Au(111)”. J. Phys. Chem. C 116, 21366 (2012). DOI: 10.1021/jp305833c
20. W.M. Sun and R. Di Felice, “Nature of the Interaction between Natural and Size-Expanded Guanine with Gold Clusters: A Density Functional Theory Study”. J. Phys. Chem. C 116, 24954 (2012). DOI: 10.1021/jp3079277
21. G. Brancolini, D.B. Kokh, L. Calzolai, R.C. Wade, and S. Corni, “Docking of ubiquitin to gold nanoparticles”. ACS Nano 6, 9863 (2012). DOI: 10.1021/nn303444b
22. D. Toroz and S. Corni, “Peptide synthesis of gold nanoparticles: The early steps of gold reduction investigated by density functional theory”. Nano Lett. 11, 1313 (2011). DOI: 10.1021/nl1043924
23. R. Di Felice and S.Corni, “Simulation Of Peptide/Surface recognition”. J Phys Chem Lett (invited) 2, 1510 (2011). DOI: 10.1021/jz200297k
24. M. Hoefling, S. Monti, S. Corni, and K.-E. Gottschalk, “Interaction of beta-Sheet Folds with a Gold Surface”. PLOS One 6, e20925 (2011). DOI: 10.1371/journal.pone.0020925
25. G. Brancolini and R. Di Felice, “Combined effects of metal complexation and size expansion in the electronic structure of DNA base pairs”. J Chem Phys 134, 205102 (2011). DOI: 10.1063/1.3593272
26. C.A. Bortolotti, M. E. Siwko, E. Castellini, A. Ranieri, M. Sola, and S. Corni, “The Reorganization Energy in Cytochrome c is Controlled by the Accessibility of the Heme to the Solvent”. J Phys Chem Lett 2, 1761 (2011). DOI: 10.1021/jz200734a
27. E. Shapir, G. Brancolini, T. Molotsky, A.B. Kotlyar, R. Di Felice, and D. Porath, “Evidence of gap modulation in DNA by complexation with metal ions”. Adv Mater 23, 4290 (2011). DOI: 10.1002/adma.201101100
Book chapters
L. Bellucci, G. Brancolini, A. Calzolari, O. Carrillo Parramon, S. Corni, R. Di Felice “Proteins and Peptides at Gold Surfaces: Insights from Atomistic Simulations” in ACS Symposium Vol. 1120 “Proteins at Interfaces III: State of the art”, T. Horbett, J. L. Brash, W. Norde Eds. (2012).