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Items: 1 to 50 of 93

1.

Fat SIRAH: Coarse-Grained Phospholipids To Explore Membrane-Protein Dynamics.

Barrera EE, Machado MR, Pantano S.

J Chem Theory Comput. 2019 Sep 5. doi: 10.1021/acs.jctc.9b00435. [Epub ahead of print]

PMID:
31433946
2.

Envisioning data sharing for the biocomputing community.

Riccardi E, Pantano S, Potestio R.

Interface Focus. 2019 Jun 6;9(3):20190005. doi: 10.1098/rsfs.2019.0005. Epub 2019 Apr 19.

PMID:
31065349
3.

From quantum to subcellular scales: multi-scale simulation approaches and the SIRAH force field.

Machado MR, Zeida A, Darré L, Pantano S.

Interface Focus. 2019 Jun 6;9(3):20180085. doi: 10.1098/rsfs.2018.0085. Epub 2019 Apr 19. Review.

PMID:
31065347
4.

The SIRAH 2.0 Force Field: Altius, Fortius, Citius.

Machado MR, Barrera EE, Klein F, Sóñora M, Silva S, Pantano S.

J Chem Theory Comput. 2019 Apr 9;15(4):2719-2733. doi: 10.1021/acs.jctc.9b00006. Epub 2019 Mar 13.

PMID:
30810317
5.

p31-43 Gliadin Peptide Forms Oligomers and Induces NLRP3 Inflammasome/Caspase 1- Dependent Mucosal Damage in Small Intestine.

Gómez Castro MF, Miculán E, Herrera MG, Ruera C, Perez F, Prieto ED, Barrera E, Pantano S, Carasi P, Chirdo FG.

Front Immunol. 2019 Jan 30;10:31. doi: 10.3389/fimmu.2019.00031. eCollection 2019.

6.

New red-shifted fluorescent biosensor for monitoring intracellular redox changes.

Piattoni CV, Sardi F, Klein F, Pantano S, Bollati-Fogolin M, Comini M.

Free Radic Biol Med. 2019 Apr;134:545-554. doi: 10.1016/j.freeradbiomed.2019.01.035. Epub 2019 Feb 5.

PMID:
30735840
7.

Tisagenlecleucel in Adult Relapsed or Refractory Diffuse Large B-Cell Lymphoma.

Schuster SJ, Bishop MR, Tam CS, Waller EK, Borchmann P, McGuirk JP, Jäger U, Jaglowski S, Andreadis C, Westin JR, Fleury I, Bachanova V, Foley SR, Ho PJ, Mielke S, Magenau JM, Holte H, Pantano S, Pacaud LB, Awasthi R, Chu J, Anak Ö, Salles G, Maziarz RT; JULIET Investigators.

N Engl J Med. 2019 Jan 3;380(1):45-56. doi: 10.1056/NEJMoa1804980. Epub 2018 Dec 1.

PMID:
30501490
8.

Genetic mechanisms of target antigen loss in CAR19 therapy of acute lymphoblastic leukemia.

Orlando EJ, Han X, Tribouley C, Wood PA, Leary RJ, Riester M, Levine JE, Qayed M, Grupp SA, Boyer M, De Moerloose B, Nemecek ER, Bittencourt H, Hiramatsu H, Buechner J, Davies SM, Verneris MR, Nguyen K, Brogdon JL, Bitter H, Morrissey M, Pierog P, Pantano S, Engelman JA, Winckler W.

Nat Med. 2018 Oct;24(10):1504-1506. doi: 10.1038/s41591-018-0146-z. Epub 2018 Oct 1.

PMID:
30275569
9.

Cues to Opening Mechanisms From in Silico Electric Field Excitation of Cx26 Hemichannel and in Vitro Mutagenesis Studies in HeLa Transfectans.

Zonta F, Buratto D, Crispino G, Carrer A, Bruno F, Yang G, Mammano F, Pantano S.

Front Mol Neurosci. 2018 May 31;11:170. doi: 10.3389/fnmol.2018.00170. eCollection 2018.

10.

Dimerization confers increased stability to nucleases in 5' halves from glycine and glutamic acid tRNAs.

Tosar JP, Gámbaro F, Darré L, Pantano S, Westhof E, Cayota A.

Nucleic Acids Res. 2018 Sep 28;46(17):9081-9093. doi: 10.1093/nar/gky495.

11.

Dissecting the conformational determinants of chitosan and chitlac oligomers.

Esteban C, Donati I, Pantano S, Villegas M, Benegas J, Paoletti S.

Biopolymers. 2018 Jun;109(6):e23221. doi: 10.1002/bip.23221. Epub 2018 May 3.

PMID:
29722914
12.

Multiscale modelization in a small virus: Mechanism of proton channeling and its role in triggering capsid disassembly.

Viso JF, Belelli P, Machado M, González H, Pantano S, Amundarain MJ, Zamarreño F, Branda MM, Guérin DMA, Costabel MD.

PLoS Comput Biol. 2018 Apr 16;14(4):e1006082. doi: 10.1371/journal.pcbi.1006082. eCollection 2018 Apr.

13.

Multiscale modeling on biological systems.

Sulpizi M, Faller R, Pantano S.

Biochem Biophys Res Commun. 2018 Mar 29;498(2):263. doi: 10.1016/j.bbrc.2018.02.179. Epub 2018 Feb 26. No abstract available.

14.

Exploring DNA dynamics within oligonucleosomes with coarse-grained simulations: SIRAH force field extension for protein-DNA complexes.

Brandner A, Schüller A, Melo F, Pantano S.

Biochem Biophys Res Commun. 2018 Mar 29;498(2):319-326. doi: 10.1016/j.bbrc.2017.09.086. Epub 2017 Sep 25.

PMID:
28958932
15.

MD Simulations of Viruslike Particles with Supra CG Solvation Affordable to Desktop Computers.

Machado MAR, González HC, Pantano S.

J Chem Theory Comput. 2017 Oct 10;13(10):5106-5116. doi: 10.1021/acs.jctc.7b00659. Epub 2017 Sep 20.

PMID:
28876928
16.

Interdisciplinary approaches to the study of flavivirus.

Marcello A, Pantano S.

Biochem Biophys Res Commun. 2017 Oct 28;492(4):531-532. doi: 10.1016/j.bbrc.2017.08.099. Epub 2017 Aug 26. No abstract available.

PMID:
28851652
17.

Modeling DMPC lipid membranes with SIRAH force-field.

Barrera EE, Frigini EN, Porasso RD, Pantano S.

J Mol Model. 2017 Aug 10;23(9):259. doi: 10.1007/s00894-017-3426-5.

PMID:
28799119
18.

Ceritinib versus chemotherapy in patients with ALK-rearranged non-small-cell lung cancer previously given chemotherapy and crizotinib (ASCEND-5): a randomised, controlled, open-label, phase 3 trial.

Shaw AT, Kim TM, Crinò L, Gridelli C, Kiura K, Liu G, Novello S, Bearz A, Gautschi O, Mok T, Nishio M, Scagliotti G, Spigel DR, Deudon S, Zheng C, Pantano S, Urban P, Massacesi C, Viraswami-Appanna K, Felip E.

Lancet Oncol. 2017 Jul;18(7):874-886. doi: 10.1016/S1470-2045(17)30339-X. Epub 2017 Jun 9.

PMID:
28602779
19.

FRET biosensor uncovers cAMP nano-domains at β-adrenergic targets that dictate precise tuning of cardiac contractility.

Surdo NC, Berrera M, Koschinski A, Brescia M, Machado MR, Carr C, Wright P, Gorelik J, Morotti S, Grandi E, Bers DM, Pantano S, Zaccolo M.

Nat Commun. 2017 Apr 20;8:15031. doi: 10.1038/ncomms15031.

20.

First-line ceritinib versus platinum-based chemotherapy in advanced ALK-rearranged non-small-cell lung cancer (ASCEND-4): a randomised, open-label, phase 3 study.

Soria JC, Tan DSW, Chiari R, Wu YL, Paz-Ares L, Wolf J, Geater SL, Orlov S, Cortinovis D, Yu CJ, Hochmair M, Cortot AB, Tsai CM, Moro-Sibilot D, Campelo RG, McCulloch T, Sen P, Dugan M, Pantano S, Branle F, Massacesi C, de Castro G Jr.

Lancet. 2017 Mar 4;389(10072):917-929. doi: 10.1016/S0140-6736(17)30123-X. Epub 2017 Jan 24. Erratum in: Lancet. 2017 Mar 4;389(10072):908.

PMID:
28126333
21.

Comparative analysis reveals amino acids critical for anticancer activity of peptide CIGB-552.

Astrada S, Gomez Y, Barrera E, Obal G, Pritsch O, Pantano S, Vallespí MG, Bollati-Fogolín M.

J Pept Sci. 2016 Nov;22(11-12):711-722. doi: 10.1002/psc.2934.

PMID:
27933724
22.

Revisiting the human polypeptide GalNAc-T1 and T13 paralogs.

Festari MF, Trajtenberg F, Berois N, Pantano S, Revoredo L, Kong Y, Solari-Saquieres P, Narimatsu Y, Freire T, Bay S, Robello C, Bénard J, Gerken TA, Clausen H, Osinaga E.

Glycobiology. 2017 Jan;27(2):140-153. doi: 10.1093/glycob/cww111. Epub 2016 Nov 22.

23.

The ataxia related G1107D mutation of the plasma membrane Ca2+ ATPase isoform 3 affects its interplay with calmodulin and the autoinhibition process.

Calì T, Frizzarin M, Luoni L, Zonta F, Pantano S, Cruz C, Bonza MC, Bertipaglia I, Ruzzene M, De Michelis MI, Damiano N, Marin O, Zanni G, Zanotti G, Brini M, Lopreiato R, Carafoli E.

Biochim Biophys Acta Mol Basis Dis. 2017 Jan;1863(1):165-173. doi: 10.1016/j.bbadis.2016.09.007. Epub 2016 Sep 12.

24.

SIRAH tools: mapping, backmapping and visualization of coarse-grained models.

Machado MR, Pantano S.

Bioinformatics. 2016 May 15;32(10):1568-70. doi: 10.1093/bioinformatics/btw020. Epub 2016 Jan 14.

PMID:
26773132
25.

SIRAH: a structurally unbiased coarse-grained force field for proteins with aqueous solvation and long-range electrostatics.

Darré L, Machado MR, Brandner AF, González HC, Ferreira S, Pantano S.

J Chem Theory Comput. 2015 Feb 10;11(2):723-39. doi: 10.1021/ct5007746.

PMID:
26575407
26.

Exploring LacI-DNA dynamics by multiscale simulations using the SIRAH force field.

Machado MR, Pantano S.

J Chem Theory Comput. 2015 Oct 13;11(10):5012-23. doi: 10.1021/acs.jctc.5b00575. Epub 2015 Sep 2.

PMID:
26574286
27.

Skin prick test results to artesunate in children sensitized to Artemisia vulgaris L.

Mori F, Pantano S, Rossi ME, Montagnani C, Chiappini E, Novembre E, Galli L, de Martino M.

Int J Immunopathol Pharmacol. 2015 Sep;28(3):411-4. doi: 10.1177/0394632015589518. Epub 2015 Jul 8.

PMID:
26157064
28.

Adverse reaction to benzathine benzylpenicillin due to soy allergy: a case report.

Barni S, Mori F, Pantano S, Novembre E.

J Med Case Rep. 2015 Jun 6;9:134. doi: 10.1186/s13256-015-0602-z.

29.

Structure-based, in silico approaches for the development of novel cAMP FRET reporters.

Machado M, Pantano S.

Methods Mol Biol. 2015;1294:41-58. doi: 10.1007/978-1-4939-2537-7_4.

PMID:
25783876
30.

Identification of novel cyclic nucleotide binding proteins in Trypanosoma cruzi.

Jäger AV, De Gaudenzi JG, Mild JG, Mc Cormack B, Pantano S, Altschuler DL, Edreira MM.

Mol Biochem Parasitol. 2014 Dec;198(2):104-12. doi: 10.1016/j.molbiopara.2015.02.002. Epub 2015 Feb 25.

PMID:
25724722
31.

Surface localization of high-mobility group nucleosome-binding protein 2 on leukemic B cells from patients with chronic lymphocytic leukemia is related to secondary autoimmune hemolytic anemia.

Morande PE, Borge M, Abreu C, Galletti J, Zanetti SR, Nannini P, Bezares RF, Pantano S, Dighiero G, Oppezzo P, Gamberale R, Giordano M.

Leuk Lymphoma. 2015 Apr;56(4):1115-22. doi: 10.3109/10428194.2014.957205. Epub 2015 Jan 21.

PMID:
25156469
32.

Increased incidence of thyroid dysfunction and autoimmunity in patients with vernal keratoconjunctivitis.

Stagi S, Pucci N, Di Grande L, de Libero C, Caputo R, Pantano S, Mattei I, Mori F, de Martino M, Novembre E.

Int J Endocrinol. 2014;2014:804870. doi: 10.1155/2014/804870. Epub 2014 Jul 20.

33.

Increased prevalence of growth hormone deficiency in patients with vernal keratoconjuntivitis; an interesting new association.

Stagi S, Pucci N, di Grande L, de Libero C, Caputo R, Pantano S, Seminara S, de Martino M, Novembre E.

Hormones (Athens). 2014 Jul-Sep;13(3):382-8. doi: 10.14310/horm.2002.1499.

34.

Modelling and mutational analysis of Aspergillus nidulans UreA, a member of the subfamily of urea/H⁺ transporters in fungi and plants.

Sanguinetti M, Amillis S, Pantano S, Scazzocchio C, Ramón A.

Open Biol. 2014 Jun;4(6):140070. doi: 10.1098/rsob.140070.

35.

Azithromycin anaphylaxis in children.

Mori F, Pecorari L, Pantano S, Rossi ME, Pucci N, De Martino M, Novembre E.

Int J Immunopathol Pharmacol. 2014 Jan-Mar;27(1):121-6.

PMID:
24674687
36.

Reversible acetylation regulates vascular endothelial growth factor receptor-2 activity.

Zecchin A, Pattarini L, Gutierrez MI, Mano M, Mai A, Valente S, Myers MP, Pantano S, Giacca M.

J Mol Cell Biol. 2014 Apr;6(2):116-27. doi: 10.1093/jmcb/mju010. Epub 2014 Mar 11.

PMID:
24620033
37.

Vascular origin of vildagliptin-induced skin effects in Cynomolgus monkeys: pathomechanistic role of peripheral sympathetic system and neuropeptide Y.

Hoffmann P, Bentley P, Sahota P, Schoenfeld H, Martin L, Longo L, Spaet R, Moulin P, Pantano S, Dubost V, Lapadula D, Burkey B, Kaushik V, Zhou W, Hayes M, Flavahan N, Chibout SD, Busch S.

Toxicol Pathol. 2014 Jun;42(4):684-95. doi: 10.1177/0192623313516828. Epub 2014 Jan 20.

PMID:
24448599
38.

Transferable mixing of atomistic and coarse-grained water models.

Gonzalez HC, Darré L, Pantano S.

J Phys Chem B. 2013 Nov 21;117(46):14438-48. doi: 10.1021/jp4079579. Epub 2013 Nov 12.

PMID:
24219057
39.

Differential expression of dipeptidyl peptidase IV in human versus cynomolgus monkey skin eccrine sweat glands.

Pantano S, Dubost V, Darribat K, Couttet P, Grenet O, Busch S, Moulin P.

J Mol Histol. 2013 Dec;44(6):733-47. doi: 10.1007/s10735-013-9524-5. Epub 2013 Jul 24.

PMID:
23880984
40.

The blockade of the neurotransmitter release apparatus by botulinum neurotoxins.

Pantano S, Montecucco C.

Cell Mol Life Sci. 2014 Mar;71(5):793-811. doi: 10.1007/s00018-013-1380-7. Epub 2013 Jun 11. Review.

PMID:
23749048
41.

Evidence for a radial SNARE super-complex mediating neurotransmitter release at the Drosophila neuromuscular junction.

Megighian A, Zordan M, Pantano S, Scorzeto M, Rigoni M, Zanini D, Rossetto O, Montecucco C.

J Cell Sci. 2013 Jul 15;126(Pt 14):3134-40. doi: 10.1242/jcs.123802. Epub 2013 May 17.

42.

Genetic bypass of Aspergillus nidulans crzA function in calcium homeostasis.

Almeida RS, Loss O, Colabardini AC, Brown NA, Bignell E, Savoldi M, Pantano S, Goldman MH, Arst HN Jr, Goldman GH.

G3 (Bethesda). 2013 Jul 8;3(7):1129-41. doi: 10.1534/g3.113.005983.

43.

Mixing Atomistic and Coarse Grain Solvation Models for MD Simulations: Let WT4 Handle the Bulk.

Darré L, Tek A, Baaden M, Pantano S.

J Chem Theory Comput. 2012 Oct 9;8(10):3880-94. doi: 10.1021/ct3001816. Epub 2012 Jun 15.

PMID:
26593029
44.

Breathing, bubbling, and bending: DNA flexibility from multimicrosecond simulations.

Zeida A, Machado MR, Dans PD, Pantano S.

Phys Rev E Stat Nonlin Soft Matter Phys. 2012 Aug;86(2 Pt 1):021903. Epub 2012 Aug 3.

PMID:
23005781
45.

Mutations in the basic loop of the Zn binuclear cluster of the UaY transcriptional activator suppress mutations in the dimerisation domain.

Cecchetto G, Richero M, Oestreicher N, Muro-Pastor MI, Pantano S, Scazzocchio C.

Fungal Genet Biol. 2012 Sep;49(9):731-43. doi: 10.1016/j.fgb.2012.06.009. Epub 2012 Jul 1.

PMID:
22760060
46.

Advanced computational methods in molecular medicine.

Giorgetti A, Ruggerone P, Pantano S, Carloni P.

J Biomed Biotechnol. 2012;2012:709085. doi: 10.1155/2012/709085. Epub 2012 May 20. No abstract available.

47.

Molecular dynamics study of the interaction of arginine with phosphatidylcholine and phosphatidylethanolamine bilayers.

Herrera FE, Bouchet A, Lairion F, Disalvo EA, Pantano S.

J Phys Chem B. 2012 Apr 19;116(15):4476-83. doi: 10.1021/jp2096357. Epub 2012 Apr 6.

PMID:
22448899
48.

Structure and dynamics of nano-sized raft-like domains on the plasma membrane.

Herrera FE, Pantano S.

J Chem Phys. 2012 Jan 7;136(1):015103. doi: 10.1063/1.3672704.

PMID:
22239803
49.

HIV-1 Tat Binding to PCAF Bromodomain: Structural Determinants from Computational Methods.

Quy VC, Pantano S, Rossetti G, Giacca M, Carloni P.

Biology (Basel). 2012 Aug 13;1(2):277-96. doi: 10.3390/biology1020277.

50.

A hybrid all-atom/coarse grain model for multiscale simulations of DNA.

Machado MR, Dans PD, Pantano S.

Phys Chem Chem Phys. 2011 Oct 28;13(40):18134-44. doi: 10.1039/c1cp21248f. Epub 2011 Sep 19.

PMID:
21927740

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