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Items: 27

1.

Addendum to BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.

Decherchi S, Bottegoni G, Spitaleri A, Rocchia W, Cavalli A.

J Chem Inf Model. 2018 Aug 3. doi: 10.1021/acs.jcim.8b00489. [Epub ahead of print] No abstract available.

PMID:
30074778
2.

Fast Dynamic Docking Guided by Adaptive Electrostatic Bias: The MD-Binding Approach.

Spitaleri A, Decherchi S, Cavalli A, Rocchia W.

J Chem Theory Comput. 2018 Mar 13;14(3):1727-1736. doi: 10.1021/acs.jctc.7b01088. Epub 2018 Feb 9.

PMID:
29351374
3.

BiKi Life Sciences: A New Suite for Molecular Dynamics and Related Methods in Drug Discovery.

Decherchi S, Bottegoni G, Spitaleri A, Rocchia W, Cavalli A.

J Chem Inf Model. 2018 Feb 26;58(2):219-224. doi: 10.1021/acs.jcim.7b00680. Epub 2018 Jan 31.

PMID:
29338240
4.

A Novel HRAS Mutation Independently Contributes to Left Ventricular Hypertrophy in a Family with a Known MYH7 Mutation.

Sana ME, Quilliam LA, Spitaleri A, Pezzoli L, Marchetti D, Lodrini C, Candiago E, Lincesso AR, Ferrazzi P, Iascone M.

PLoS One. 2016 Dec 21;11(12):e0168501. doi: 10.1371/journal.pone.0168501. eCollection 2016.

5.

A population-based study of chronic myeloid leukemia patients treated with imatinib in first line.

Castagnetti F, Di Raimondo F, De Vivo A, Spitaleri A, Gugliotta G, Fabbiano F, Capodanno I, Mannina D, Salvucci M, Antolino A, Marasca R, Musso M, Crugnola M, Impera S, Trabacchi E, Musolino C, Cavazzini F, Mineo G, Tosi P, Tomaselli C, Rizzo M, Siragusa S, Fogli M, Ragionieri R, Zironi A, Soverini S, Martinelli G, Cavo M, Vigneri P, Stagno F, Rosti G, Baccarani M.

Am J Hematol. 2017 Jan;92(1):82-87. doi: 10.1002/ajh.24591. Epub 2016 Nov 18.

6.

dMM-PBSA: A New HADDOCK Scoring Function for Protein-Peptide Docking.

Spiliotopoulos D, Kastritis PL, Melquiond AS, Bonvin AM, Musco G, Rocchia W, Spitaleri A.

Front Mol Biosci. 2016 Aug 31;3:46. doi: 10.3389/fmolb.2016.00046. eCollection 2016.

7.

AurkA controls self-renewal of breast cancer-initiating cells promoting wnt3a stabilization through suppression of miR-128.

Eterno V, Zambelli A, Villani L, Tuscano A, Manera S, Spitaleri A, Pavesi L, Amato A.

Sci Rep. 2016 Jun 24;6:28436. doi: 10.1038/srep28436.

8.

Imatinib mesylate in chronic myeloid leukemia: frontline treatment and long-term outcomes.

Stagno F, Stella S, Spitaleri A, Pennisi MS, Di Raimondo F, Vigneri P.

Expert Rev Anticancer Ther. 2016;16(3):273-8. doi: 10.1586/14737140.2016.1151356. Review.

PMID:
26852913
9.

Metadynamics Simulations Rationalise the Conformational Effects Induced by N-Methylation of RGD Cyclic Hexapeptides.

Paissoni C, Ghitti M, Belvisi L, Spitaleri A, Musco G.

Chemistry. 2015 Sep 28;21(40):14165-70. doi: 10.1002/chem.201501196. Epub 2015 Aug 6.

PMID:
26248541
10.

Investigating drug-target association and dissociation mechanisms using metadynamics-based algorithms.

Cavalli A, Spitaleri A, Saladino G, Gervasio FL.

Acc Chem Res. 2015 Feb 17;48(2):277-85. doi: 10.1021/ar500356n. Epub 2014 Dec 12. Review.

PMID:
25496113
11.

A singular case of survival after acute methanol poisoning: toxicological and neuroimaging findings.

Barbera N, Indorato F, Spitaleri A, Bosco A, Carpinteri M, Busardò FP, Romano G.

Am J Forensic Med Pathol. 2014 Dec;35(4):253-5. doi: 10.1097/PAF.0000000000000127.

PMID:
25354223
12.

Identification of a novel de novo deletion in RAF1 associated with biventricular hypertrophy in Noonan syndrome.

Sana ME, Spitaleri A, Spiliotopoulos D, Pezzoli L, Preda L, Musco G, Ferrazzi P, Iascone M.

Am J Med Genet A. 2014 Aug;164A(8):2069-73. doi: 10.1002/ajmg.a.36588. Epub 2014 Apr 29.

PMID:
24782337
13.

NMR and computational methods in the structural and dynamic characterization of ligand-receptor interactions.

Ghitti M, Musco G, Spitaleri A.

Adv Exp Med Biol. 2014;805:271-304. doi: 10.1007/978-3-319-02970-2_12. Review.

PMID:
24446366
14.

Oxidation-induced structural changes of ceruloplasmin foster NGR motif deamidation that promotes integrin binding and signaling.

Barbariga M, Curnis F, Spitaleri A, Andolfo A, Zucchelli C, Lazzaro M, Magnani G, Musco G, Corti A, Alessio M.

J Biol Chem. 2014 Feb 7;289(6):3736-48. doi: 10.1074/jbc.M113.520981. Epub 2013 Dec 23.

15.

Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study.

Spiliotopoulos D, Spitaleri A, Musco G.

PLoS One. 2012;7(10):e46902. doi: 10.1371/journal.pone.0046902. Epub 2012 Oct 15.

16.

Molecular dynamics reveal that isoDGR-containing cyclopeptides are true αvβ3 antagonists unable to promote integrin allostery and activation.

Ghitti M, Spitaleri A, Valentinis B, Mari S, Asperti C, Traversari C, Rizzardi GP, Musco G.

Angew Chem Int Ed Engl. 2012 Jul 27;51(31):7702-5. doi: 10.1002/anie.201202032. Epub 2012 Jun 20.

PMID:
22718573
17.

Use of metadynamics in the design of isoDGR-based αvβ3 antagonists to fine-tune the conformational ensemble.

Spitaleri A, Ghitti M, Mari S, Alberici L, Traversari C, Rizzardi GP, Musco G.

Angew Chem Int Ed Engl. 2011 Feb 18;50(8):1832-6. doi: 10.1002/anie.201007091. Epub 2011 Jan 18. No abstract available.

PMID:
21328650
18.

An exceptional case of complete lumbosacral spine duplication and open myelomeningocele in adulthood.

Alberio N, Pentimalli L, Alessandrello R, Lipani R, Maiello M, Morabito A, Spitaleri A, Zambuto MR, Soma P, Francaviglia N.

J Neurosurg Spine. 2010 Nov;13(5):659-61. doi: 10.3171/2010.5.SPINE08962.

PMID:
21039160
19.

Nephrocystin-1 forms a complex with polycystin-1 via a polyproline motif/SH3 domain interaction and regulates the apoptotic response in mammals.

Wodarczyk C, Distefano G, Rowe I, Gaetani M, Bricoli B, Muorah M, Spitaleri A, Mannella V, Ricchiuto P, Pema M, Castelli M, Casanova AE, Mollica L, Banzi M, Boca M, Antignac C, Saunier S, Musco G, Boletta A.

PLoS One. 2010 Sep 14;5(9):e12719. doi: 10.1371/journal.pone.0012719.

20.

2D TR-NOESY experiments interrogate and rank ligand-receptor interactions in living human cancer cells.

Mari S, Invernizzi C, Spitaleri A, Alberici L, Ghitti M, Bordignon C, Traversari C, Rizzardi GP, Musco G.

Angew Chem Int Ed Engl. 2010 Feb 1;49(6):1071-4. doi: 10.1002/anie.200905941. No abstract available.

PMID:
20058288
21.

The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation.

Chignola F, Gaetani M, Rebane A, Org T, Mollica L, Zucchelli C, Spitaleri A, Mannella V, Peterson P, Musco G.

Nucleic Acids Res. 2009 May;37(9):2951-61. doi: 10.1093/nar/gkp166. Epub 2009 Mar 17.

22.

Structural basis for the interaction of isoDGR with the RGD-binding site of alphavbeta3 integrin.

Spitaleri A, Mari S, Curnis F, Traversari C, Longhi R, Bordignon C, Corti A, Rizzardi GP, Musco G.

J Biol Chem. 2008 Jul 11;283(28):19757-68. doi: 10.1074/jbc.M710273200. Epub 2008 May 13.

23.

Determination of protein-ligand binding modes using complexation-induced changes in (1)h NMR chemical shift.

Cioffi M, Hunter CA, Packer MJ, Spitaleri A.

J Med Chem. 2008 Apr 24;51(8):2512-7. doi: 10.1021/jm701194r. Epub 2008 Mar 27.

PMID:
18366177
24.

Glycyrrhizin binds to high-mobility group box 1 protein and inhibits its cytokine activities.

Mollica L, De Marchis F, Spitaleri A, Dallacosta C, Pennacchini D, Zamai M, Agresti A, Trisciuoglio L, Musco G, Bianchi ME.

Chem Biol. 2007 Apr;14(4):431-41.

25.

Tailbiter: a new amide foldamer.

Hunter CA, Spitaleri A, Tomas S.

Chem Commun (Camb). 2005 Aug 7;(29):3691-3. Epub 2005 Jul 1.

PMID:
16027913
26.

[Hemorheologic and retinal microcirculatory aspects of diabetics undergoing treatment with human insulin using microinfusors].

Terranova R, Lombardo A, Spitaleri A, Motta L, Gorgone G, Amantia L.

Minerva Endocrinol. 1984 Apr-Jun;9(2):197-203. Italian. No abstract available.

PMID:
6503906
27.

Plasma viscosity: relation to age, atherogenic diet and suloctidil.

Amico-Roxas M, Drago F, Canonico PL, Russo A, Terranova R, Spitaleri A, Bianchi A.

Pharmacol Res Commun. 1981 Sep;13(8):765-7. No abstract available.

PMID:
6270707

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