{"id":24,"date":"2011-04-27T11:24:37","date_gmt":"2011-04-27T10:24:37","guid":{"rendered":"http:\/\/www.moprosurf.nano.cnr.it\/?page_id=24"},"modified":"2014-01-08T12:33:49","modified_gmt":"2014-01-08T11:33:49","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.moprosurf.nano.cnr.it\/?page_id=24","title":{"rendered":"Publications"},"content":{"rendered":"

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<\/strong>, 1616 (2013). DOI:10.1021\/ct301018m<\/a><\/p>\n

2. M.E. Siwko and S. Corni. “Cytochrome C<\/em> on a gold surface: investigating structural relaxations and their role for protein-surface electron transfer by molecular dynamics simulations”. Phys. Chem. Chem. Phys. 15<\/strong>, 5945 (2013). DOI:10.1039\/C3CP00146F<\/a><\/p>\n

3. O. Carrillo-Parramon, G. Brancolini, and S. Corni, “Simulation of Protein-Surface Interactions by a Coarse-Grained Method”. BioNanoScience 3<\/strong>,12 (2013). DOI:10.1007\/s12668-012-0073-2<\/a><\/p>\n

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<\/strong>, 710 (2013). DOI: 10.1021\/jz302125k<\/a><\/p>\n

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<\/strong>, 6750-6760 (2013). DOI: 10.1093\/nar\/gkt357<\/a><\/p>\n

6. W. Sun, S. Corni, and R. Di Felice, “Reactivity of the ZnS (101\u03050) Surface to Small Organic Ligands by Density Functional Theory”. J. Phys. Chem. C 117<\/strong>, 16034 (2013). DOI: 10.1021\/jp404736h<\/a><\/p>\n

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<\/strong>, 16990 (2013). DOI: 10.1021\/jp404057h<\/a><\/p>\n

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<\/strong>, 4552 (2013). DOI: 10.1021\/ct4002416<\/a><\/p>\n

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<\/strong>, 1812 (2013). DOI: 10.1016\/j.str.2013.07.022<\/a><\/p>\n

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<\/strong>, 9396 (2013). DOI: 10.1021\/nn404165y<\/a><\/p>\n

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<\/strong>, 13198 (2013). DOI: 10.1021\/la402217c<\/a><\/p>\n

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<\/strong>, e74383 (2013). DOI: 10.1371\/journal.pone.0074383<\/a><\/p>\n

13. M. Rosa, W. Sun, and R. Di Felice, “Interaction of DNA Bases with Gold Substrates”. J. Self-Assembl. & Mol. Elec. 1<\/strong>, 41 (2013). DOI: 10.3390\/ijms14022303<\/a><\/p>\n

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 \u00d7 1): An extension of GolP-CHARMM”. J Phys Chem C 117<\/strong>, 24292 (2013). DOI: 10.1021\/jp4061329<\/a><\/p>\n

15. G. Givaja, O. Castillo, E. Mateo, A. Gallego, C.J. G\u00f3mez-Garc\u00eda, A. Calzolari, R. Di Felice, and F. Zamora, “Electrical Behaviour of Heterobimetallic [MM\u2032(EtCS2)4] (MM\u2032=NiPd, NiPt, PdPt) and MM\u2032X-Chain Polymers [PtM(EtCS2)4I] (M=Ni, Pd)”. Chem. Eur. J. 18<\/strong>, 15476 (2012). DOI: 10.1002\/chem.201200995<\/a><\/p>\n

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<\/strong>, 10977 (2012). DOI: 10.1021\/jp2091544<\/a><\/p>\n

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<\/em> modulates the heme iron reduction potential”, J. Am. Chem. Soc. 134<\/strong>, 13670 (2012). DOI: 10.1021\/ja3030356<\/a><\/p>\n

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<\/strong>, 10693 (2012). DOI: 10.1021\/jp304818s<\/a><\/p>\n

19. M. Rosa, S. Corni, and R. Di Felice, “A density functional theory study of cytosine on Au(111)”. J. Phys. Chem. C 116<\/strong>, 21366 (2012). DOI: 10.1021\/jp305833c<\/a><\/p>\n

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<\/strong>, 24954 (2012). DOI: 10.1021\/jp3079277<\/a><\/p>\n

21. G. Brancolini, D.B. Kokh, L. Calzolai, R.C. Wade, and S. Corni, “Docking of ubiquitin to gold nanoparticles”. ACS Nano 6<\/strong>, 9863 (2012). DOI: 10.1021\/nn303444b<\/a><\/p>\n

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<\/strong>, 1313 (2011). DOI: 10.1021\/nl1043924<\/a><\/p>\n

23. R. Di Felice and S.Corni, “Simulation Of Peptide\/Surface recognition”. J Phys Chem Lett (invited) 2<\/strong>, 1510 (2011). DOI: 10.1021\/jz200297k<\/a><\/p>\n

24. M. Hoefling, S. Monti, S. Corni, and K.-E. Gottschalk, “Interaction of beta-Sheet Folds with a Gold Surface”. PLOS One 6<\/strong>, e20925 (2011). DOI: 10.1371\/journal.pone.0020925<\/a><\/p>\n

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<\/strong>, 205102 (2011). DOI: 10.1063\/1.3593272<\/a><\/p>\n

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<\/strong>, 1761 (2011). DOI: 10.1021\/jz200734a<\/a><\/p>\n

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<\/strong>, 4290 (2011). DOI: 10.1002\/adma.201101100<\/a><\/p>\n

Book chapters<\/strong><\/p>\n

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).<\/p>\n","protected":false},"excerpt":{"rendered":"

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 … Continue reading →<\/span><\/a><\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-24","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/pages\/24","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=24"}],"version-history":[{"count":19,"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/pages\/24\/revisions"}],"predecessor-version":[{"id":53,"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=\/wp\/v2\/pages\/24\/revisions\/53"}],"wp:attachment":[{"href":"https:\/\/www.moprosurf.nano.cnr.it\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=24"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}