Gaspari R - Search Results

1

Isolated Pd sites on the intermetallic PdGa(111) and PdGa(111) model catalyst surfaces.

Prinz J, Gaspari R, Pignedoli CA, Vogt J, Gille P, Armbrüster M, Brune H, Gröning O, Passerone D, Widmer R. Prinz J, et al. Among authors: gaspari r. Angew Chem Int Ed Engl. 2012 Sep 10;51(37):9339-43. doi: 10.1002/anie.201203787. Epub 2012 Aug 22. Angew Chem Int Ed Engl. 2012. PMID: 22915300 No abstract available.

2

Adsorption and friction behavior of amphiphilic polymers on hydrophobic surfaces.

Fontani G, Gaspari R, Spencer ND, Passerone D, Crockett R. Fontani G, et al. Among authors: gaspari r. Langmuir. 2013 Apr 16;29(15):4760-71. doi: 10.1021/la400263r. Epub 2013 Apr 5. Langmuir. 2013. PMID: 23509926

3

Supramolecular engineering through temperature-induced chemical modification of 2H-tetraphenylporphyrin on Ag(111): flat phenyl conformation and possible dehydrogenation reactions.

Di Santo G, Blankenburg S, Castellarin-Cudia C, Fanetti M, Borghetti P, Sangaletti L, Floreano L, Verdini A, Magnano E, Bondino F, Pignedoli CA, Nguyen MT, Gaspari R, Passerone D, Goldoni A. Di Santo G, et al. Among authors: gaspari r. Chemistry. 2011 Dec 16;17(51):14354-9. doi: 10.1002/chem.201102268. Epub 2011 Nov 23. Chemistry. 2011. PMID: 22113855

4

Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.

Schiebel J, Gaspari R, Sandner A, Ngo K, Gerber HD, Cavalli A, Ostermann A, Heine A, Klebe G. Schiebel J, et al. Among authors: gaspari r. Angew Chem Int Ed Engl. 2017 Apr 18;56(17):4887-4890. doi: 10.1002/anie.201701038. Epub 2017 Mar 28. Angew Chem Int Ed Engl. 2017. PMID: 28371253

5

Free energy calculations offer insights into the influence of receptor flexibility on ligand-receptor binding affinities.

Dolenc J, Riniker S, Gaspari R, Daura X, van Gunsteren WF. Dolenc J, et al. Among authors: gaspari r. J Comput Aided Mol Des. 2011 Aug;25(8):709-16. doi: 10.1007/s10822-011-9453-x. Epub 2011 Jul 7. J Comput Aided Mol Des. 2011. PMID: 21735261

6

Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.

Schiebel J, Gaspari R, Wulsdorf T, Ngo K, Sohn C, Schrader TE, Cavalli A, Ostermann A, Heine A, Klebe G. Schiebel J, et al. Among authors: gaspari r. Nat Commun. 2018 Sep 3;9(1):3559. doi: 10.1038/s41467-018-05769-2. Nat Commun. 2018. PMID: 30177695 Free PMC article.

7

A theoretical investigation of the (0001) covellite surfaces.

Gaspari R, Manna L, Cavalli A. Gaspari R, et al. J Chem Phys. 2014 Jul 28;141(4):044702. doi: 10.1063/1.4890374. J Chem Phys. 2014. PMID: 25084932

8

Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.

Gaspari R, Rechlin C, Heine A, Bottegoni G, Rocchia W, Schwarz D, Bomke J, Gerber HD, Klebe G, Cavalli A. Gaspari R, et al. J Med Chem. 2016 May 12;59(9):4245-56. doi: 10.1021/acs.jmedchem.5b01643. Epub 2016 Jan 12. J Med Chem. 2016. PMID: 26700575

9

Dioxygen, an unexpected carbonic anhydrase ligand.

Ferraroni M, Gaspari R, Scozzafava A, Cavalli A, Supuran CT. Ferraroni M, et al. Among authors: gaspari r. J Enzyme Inhib Med Chem. 2018 Dec;33(1):999-1005. doi: 10.1080/14756366.2018.1475371. J Enzyme Inhib Med Chem. 2018. PMID: 29806484 Free PMC article.

10

Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations.

Mollica L, Decherchi S, Zia SR, Gaspari R, Cavalli A, Rocchia W. Mollica L, et al. Among authors: gaspari r. Sci Rep. 2015 Jun 23;5:11539. doi: 10.1038/srep11539. Sci Rep. 2015. PMID: 26103621 Free PMC article.

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