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Items: 1 to 50 of 304

1.

The Reference Site Collaborative Network of the European Innovation Partnership on Active and Healthy Ageing.

Bousquet J, Illario M, Farrell J, Batey N, Carriazo AM, Malva J, Hajjam J, Colgan E, Guldemond N, Perälä-Heape M, Onorato GL, Bedbrook A, Leonardini L, Stroetman V, Birov S, Abreu C, Abrunhosa A, Agrimi A, Alalääkkölä T, Allegretti N, Alonso-Trujillo F, Álvarez-Benito M, Angioli S, Apóstolo J, Armitage G, Arnavielhe S, Baena-ParejoI M, Bamidis PD, Balenović A, Barbolini M, Baroni I, Blain H, Bernard PL, Bersani M, Berti E, Bogatyrchuk L, Bourret R, Brehm J, Brussino L, Buhr D, Bultje D, Cabeza E, Cano A, De Capitani C, Carantoña E, Cardoso A, Coll Clavero JI, Combe B, Conforti D, Coppola L, Corti F, Coscioni E, Costa E, Crooks G, Cunha A, Daien C, Dantas, Darpón Sierra J, Davoli M, Dedeu Baraldes A, De Luca V, De Nardi L, Di Ciano M, Dozet A, Ekinci B, Erve S, Espinoza Almendro JM, Fait A, Fensli R, Fernandez Nocelo S, Gálvez-Daza P, Gámez-Payá J, García Sáez M, Garcia Sanchez I, Gemicioğlu B, Goetzke W, Goossens E, Geurdens M, Gütter Z, Hansen H, Hartman S, Hegendörfer G, Heikka H, Henderson D, Héran D, Hirvonen S, Iaccarino G, Jansson N, Kallasvaara H, Kalyoncu F, Kirchmayer U, Kokko JA, Korpelainen J, Kostka T, Kuna P, Lajarín Ortega T, Lama CM, Laune D, Lauri D, Ledroit V, Levato G, Lewis L, Liotta G, Lundgren L, Lupiañez-Villanueva F, Mc Garry P, Maggio M, Manuel de Keenoy E, Martinez C, Martínez-Domene M, Martínez-Lozano Aranaga B, Massimilliano M, Maurizio A, Mayora O, Melle C, Mendez-Zorilla A, Mengon H, Mercier G, Mercier J, Meyer I, Millet Pi-Figueras A, Mitsias P, Molloy DW, Monti R, Moro ML, Muranko H, Nalin M, Nobili A, Noguès M, O'Caoimh R, Pais S, Papini D, Parkkila P, Pattichis C, Pavlickova A, Peiponen A, Pereira S, Pépin JL, Piera Jiménez J, Portheine P, Potel L, Pozzi AC, Quiñonez P, Ramirez Lauritsen X, Ramos MJ, Rännäli-Kontturi A, Risino A, Robalo-Cordeiro C, Rolla G, Roller R, Romano M, Romano V, Ruiz-Fernández J, Saccavini C, Sachinopoulou A, Sánchez Rubio MJ, Santos L, Scalvini S, Scopetani E, Smedberg D, Solana-Lara R, Sołtysik B, Sorlini M, Stericker S, Stramba Badiale M, Taillieu I, Tervahauta M, Teixeira A, Tikanmäki H, Todo-Bom A, Tooley A, Tuulonen A, Tziraki C, Ussai S, Van der Veen S, Venchiarutti A, Verdoy-Berastegi D, Verissimo M, Visconti L, Vollenbroek-Hutten M, Weinzerl K, Wozniak L, Yorgancıoğlu A, Zavagli V, Zurkuhlen AJ.

Transl Med UniSa. 2019 Jan 6;19:66-81. eCollection 2019 Jan-Jun.

2.

Benchmark of Density Functionals for the Calculation of the Redox Potential of Fe3+/Fe2+ Within Protein Coordination Shells.

Listyarini RV, Gesto DS, Paiva P, Ramos MJ, Fernandes PA.

Front Chem. 2019 Jun 5;7:391. doi: 10.3389/fchem.2019.00391. eCollection 2019.

3.

Enabling Mitochondrial Uptake of Lipophilic Dications Using Methylated Triphenylphosphonium Moieties.

Ong HC, Hu Z, Coimbra JTS, Ramos MJ, Kon OL, Xing B, Yeow EKL, Fernandes PA, García F.

Inorg Chem. 2019 Jul 1;58(13):8293-8299. doi: 10.1021/acs.inorgchem.8b03380. Epub 2019 Jun 11.

PMID:
31184865
4.

New insights about the monomer and homodimer structures of the human AOX1.

Ferreira P, Cerqueira NMFSA, Coelho C, Fernandes PA, Romão MJ, Ramos MJ.

Phys Chem Chem Phys. 2019 Jul 7;21(25):13545-13554. doi: 10.1039/c9cp01040h. Epub 2019 Jun 7.

PMID:
31172995
5.

A computational study on the redox properties and binding affinities of iron complexes of hydroxypyridinones.

Coimbra JTS, Brás NF, Fernandes PA, Rangel M, Ramos MJ.

J Mol Model. 2019 May 25;25(6):172. doi: 10.1007/s00894-019-4037-0.

PMID:
31129727
6.

Evaluation of a flavonoids library for inhibition of pancreatic α-amylase towards a structure-activity relationship.

Proença C, Freitas M, Ribeiro D, Tomé SM, Oliveira EFT, Viegas MF, Araújo AN, Ramos MJ, Silva AMS, Fernandes PA, Fernandes E.

J Enzyme Inhib Med Chem. 2019 Dec;34(1):577-588. doi: 10.1080/14756366.2018.1558221.

7.

Challenges in spectroscopy: accuracy versus interpretation from isolated molecules to condensed phases.

Puzzarini C, de Lara-Castells MP, Ramos MJ.

Phys Chem Chem Phys. 2019 Feb 13;21(7):3395-3396. doi: 10.1039/c9cp90025j. No abstract available.

PMID:
30706937
8.

The interaction of aluminum with catecholamine-based neurotransmitters: can the formation of these species be considered a potential risk factor for neurodegenerative diseases?

Dalla Torre G, Mujika JI, Lachowicz JI, Ramos MJ, Lopez X.

Dalton Trans. 2019 May 7;48(18):6003-6018. doi: 10.1039/c8dt04216k.

PMID:
30688329
9.

Differential expression of miRNAs related to angiogenesis and adipogenesis in subcutaneous fat of obese and nonobese women.

Gasparotto AS, Borges DO, Sassi MGM, Milani A, Rech DL, Terres M, Ely PB, Ramos MJ, Meihnardt NG, Mattevi VS.

Mol Biol Rep. 2019 Feb;46(1):965-973. doi: 10.1007/s11033-018-4553-5. Epub 2018 Dec 18.

PMID:
30565074
10.

Structure, Dynamics, and Energetics of ATP Hydrolysis by ABC Transporters.

Ramos MJ, Fernandes PA.

ACS Cent Sci. 2018 Oct 24;4(10):1300-1302. doi: 10.1021/acscentsci.8b00631. Epub 2018 Oct 5. No abstract available.

11.

Multi-residue screening of non-polar hazardous chemicals in green turtle blood from different foraging regions of the Great Barrier Reef.

Vijayasarathy S, Baduel C, Hof C, Bell I, Del Mar Gómez Ramos M, Ramos MJG, Kock M, Gaus C.

Sci Total Environ. 2019 Feb 20;652:862-868. doi: 10.1016/j.scitotenv.2018.10.094. Epub 2018 Oct 23.

PMID:
30380492
12.

Structural and mechanistic aspects of S-S bonds in the thioredoxin-like family of proteins.

Sousa SF, Neves RPP, Waheed SO, Fernandes PA, Ramos MJ.

Biol Chem. 2019 Apr 24;400(5):575-587. doi: 10.1515/hsz-2018-0319. Review.

PMID:
30367780
13.

User Testing an Information Foraging Tool for Ambulatory Surgical Site Infection Surveillance.

Karavite DJ, Miller MW, Ramos MJ, Rettig SL, Ross RK, Xiao R, Muthu N, Localio AR, Gerber JS, Coffin SE, Grundmeier RW.

Appl Clin Inform. 2018 Oct;9(4):791-802. doi: 10.1055/s-0038-1675179. Epub 2018 Oct 24.

PMID:
30357777
14.

Understanding Conformational Dynamics of Complex Lipid Mixtures Relevant to Biology.

Friedman R, Khalid S, Aponte-Santamaría C, Arutyunova E, Becker M, Boyd KJ, Christensen M, Coimbra JTS, Concilio S, Daday C, van Eerden FJ, Fernandes PA, Gräter F, Hakobyan D, Heuer A, Karathanou K, Keller F, Lemieux MJ, Marrink SJ, May ER, Mazumdar A, Naftalin R, Pickholz M, Piotto S, Pohl P, Quinn P, Ramos MJ, Schiøtt B, Sengupta D, Sessa L, Vanni S, Zeppelin T, Zoni V, Bondar AN, Domene C.

J Membr Biol. 2018 Dec;251(5-6):609-631. doi: 10.1007/s00232-018-0050-y. Epub 2018 Oct 22. Review.

15.

Epidemiological study of secondary bloodstream infections: The forgotten issue.

Sante L, Aguirre-Jaime A, Miguel MA, Ramos MJ, Pedroso Y, Lecuona M.

J Infect Public Health. 2019 Jan - Feb;12(1):37-42. doi: 10.1016/j.jiph.2018.08.011. Epub 2018 Sep 25.

16.

Properties that rank protein:protein docking poses with high accuracy.

Simões ICM, Coimbra JTS, Neves RPP, Costa IPD, Ramos MJ, Fernandes PA.

Phys Chem Chem Phys. 2018 Aug 15;20(32):20927-20942. doi: 10.1039/c8cp03888k.

PMID:
30067268
17.

Vitis Flower Sex Specification Acts Downstream and Independently of the ABCDE Model Genes.

Coito JL, Silva H, Ramos MJN, Montez M, Cunha J, Amâncio S, Costa MMR, Rocheta M.

Front Plant Sci. 2018 Jul 16;9:1029. doi: 10.3389/fpls.2018.01029. eCollection 2018.

18.

Identifying surgical site infections in electronic health data using predictive models.

Grundmeier RW, Xiao R, Ross RK, Ramos MJ, Karavite DJ, Michel JJ, Gerber JS, Coffin SE.

J Am Med Inform Assoc. 2018 Sep 1;25(9):1160-1166. doi: 10.1093/jamia/ocy075.

PMID:
29982511
19.

Tuning the affinity of catechols and salicylic acids towards Al(iii): characterization of Al-chelator interactions.

Dalla Torre G, Mujika JI, Formoso E, Matito E, Ramos MJ, Lopez X.

Dalton Trans. 2018 Jul 24;47(29):9592-9607. doi: 10.1039/c8dt01341a.

PMID:
29916512
20.

Understanding the Rate-Limiting Step of Glycogenolysis by Using QM/MM Calculations on Human Glycogen Phosphorylase.

Brás NF, Fernandes PA, Ramos MJ.

ChemMedChem. 2018 Aug 10;13(15):1608-1616. doi: 10.1002/cmdc.201800218. Epub 2018 Jul 10.

PMID:
29905983
21.

Determining the glycation site specificity of human holo-transferrin.

Silva AMN, Coimbra JTS, Castro MM, Oliveira Â, Brás NF, Fernandes PA, Ramos MJ, Rangel M.

J Inorg Biochem. 2018 Sep;186:95-102. doi: 10.1016/j.jinorgbio.2018.05.016. Epub 2018 May 26.

PMID:
29860209
22.

Parametrization of Molybdenum Cofactors for the AMBER Force Field.

Ferreira P, Cerqueira NMFSA, Brás NF, Fernandes PA, Ramos MJ.

J Chem Theory Comput. 2018 May 8;14(5):2538-2548. doi: 10.1021/acs.jctc.8b00137. Epub 2018 Apr 16.

PMID:
29630831
23.

A QM/MM approach on the structural and stereoelectronic factors governing glycosylation by GTF-SI from Streptococcus mutans.

Jaña GA, Mendoza F, Osorio MI, Alderete JB, Fernandes PA, Ramos MJ, Jiménez VA.

Org Biomol Chem. 2018 Apr 4;16(14):2438-2447. doi: 10.1039/C8OB00284C.

PMID:
29557467
24.

Mechanistic Pathway on Human α-Glucosidase Maltase-Glucoamylase Unveiled by QM/MM Calculations.

Brás NF, Santos-Martins D, Fernandes PA, Ramos MJ.

J Phys Chem B. 2018 Apr 12;122(14):3889-3899. doi: 10.1021/acs.jpcb.8b01321. Epub 2018 Mar 28.

PMID:
29548257
25.

A novel synthetic peptide inspired on Lys49 phospholipase A2 from Crotalus oreganus abyssus snake venom active against multidrug-resistant clinical isolates.

Almeida JR, Mendes B, Lancellotti M, Marangoni S, Vale N, Passos Ó, Ramos MJ, Fernandes PA, Gomes P, Da Silva SL.

Eur J Med Chem. 2018 Apr 10;149:248-256. doi: 10.1016/j.ejmech.2018.02.055. Epub 2018 Feb 21.

PMID:
29501945
26.

molUP: A VMD plugin to handle QM and ONIOM calculations using the gaussian software.

S Fernandes H, Ramos MJ, M F S A Cerqueira N.

J Comput Chem. 2018 Jul 15;39(19):1344-1353. doi: 10.1002/jcc.25189. Epub 2018 Feb 21.

PMID:
29464735
27.

Modulation of lateral and longitudinal interdimeric interactions in microtubule models by Laulimalide and Peloruside A association: A molecular modeling approach on the mechanism of microtubule stabilizing agents.

Zúñiga MA, Alderete JB, Jaña GA, Fernandez PA, Ramos MJ, Jiménez VA.

Chem Biol Drug Des. 2018 May;91(5):1042-1055. doi: 10.1111/cbdd.13168. Epub 2018 Jan 23.

PMID:
29316292
28.

Modeling of Human Fatty Acid Synthase and in Silico Docking of Acyl Carrier Protein Domain and Its Partner Catalytic Domains.

Viegas MF, Neves RPP, Ramos MJ, Fernandes PA.

J Phys Chem B. 2018 Jan 11;122(1):77-85. doi: 10.1021/acs.jpcb.7b09645. Epub 2018 Jan 2.

PMID:
29210581
29.

Revisional Malabsorptive Bariatric Surgery: 29-Year Follow-up in a Brazilian Public Hospital.

Pires Souto K, Meinhardt NG, de Azevedo Dossin I, Ramos MJ, Carnellos G, Mazzaferro C, Brasil PRA, Damin DC.

Obes Surg. 2018 Jun;28(6):1504-1510. doi: 10.1007/s11695-017-3023-9.

PMID:
29159553
30.

Mechanistic Insights on Human Phosphoglucomutase Revealed by Transition Path Sampling and Molecular Dynamics Calculations.

Brás NF, Fernandes PA, Ramos MJ, Schwartz SD.

Chemistry. 2018 Feb 6;24(8):1978-1987. doi: 10.1002/chem.201705090. Epub 2018 Jan 4.

31.

Nonalcoholic fatty liver disease in patients with different baseline glucose status undergoing bariatric surgery: analysis of intraoperative liver biopsies and literature review.

Souto KP, Meinhardt NG, Ramos MJ, Ulbrich-Kulkzynski JM, Stein AT, Damin DC.

Surg Obes Relat Dis. 2018 Jan;14(1):66-73. doi: 10.1016/j.soard.2017.09.527. Epub 2017 Sep 28. Review.

PMID:
29104004
32.

Adiponectin promoter polymorphisms are predictors of lipid profile improvement after bariatric surgery.

Gasparotto AS, Borges DO, Zandoná MR, Ramos MJ, Meihnardt NG, Mattevi VS.

Genet Mol Biol. 2017 Oct-Dec;40(4):736-742. doi: 10.1590/1678-4685-GMB-2016-0241. Epub 2017 Oct 23.

33.

Protocol for Computational Enzymatic Reactivity Based on Geometry Optimisation.

Cerqueira NMFSA, Fernandes PA, Ramos MJ.

Chemphyschem. 2018 Mar 19;19(6):669-689. doi: 10.1002/cphc.201700339. Epub 2018 Jan 30. Review.

PMID:
29044952
34.

Molecular motion regulates the activity of the Mitochondrial Serine Protease HtrA2.

Merski M, Moreira C, Abreu RM, Ramos MJ, Fernandes PA, Martins LM, Pereira PJB, Macedo-Ribeiro S.

Cell Death Dis. 2017 Oct 12;8(10):e3119. doi: 10.1038/cddis.2017.487.

35.

Influence of Frozen Residues on the Exploration of the PES of Enzyme Reaction Mechanisms.

Calixto AR, Ramos MJ, Fernandes PA.

J Chem Theory Comput. 2017 Nov 14;13(11):5486-5495. doi: 10.1021/acs.jctc.7b00768. Epub 2017 Oct 25.

PMID:
28992703
36.

Outbreak of vancomycin-resistant enterococcus on a haematology ward: management and control.

García Martínez de Artola D, Castro B, Ramos MJ, Díaz Cuevas Z, Lakhwani S, Lecuona M.

J Infect Prev. 2017 May;18(3):149-153. doi: 10.1177/1757177416687832. Epub 2017 Feb 8.

37.

Improving the Catalytic Power of the DszD Enzyme for the Biodesulfurization of Crude Oil and Derivatives.

Ferreira P, Sousa SF, Fernandes PA, Ramos MJ.

Chemistry. 2017 Dec 6;23(68):17231-17241. doi: 10.1002/chem.201704057. Epub 2017 Nov 22.

PMID:
28976031
38.

α-Glucosidase inhibition by flavonoids: an in vitro and in silico structure-activity relationship study.

Proença C, Freitas M, Ribeiro D, Oliveira EFT, Sousa JLC, Tomé SM, Ramos MJ, Silva AMS, Fernandes PA, Fernandes E.

J Enzyme Inhib Med Chem. 2017 Dec;32(1):1216-1228. doi: 10.1080/14756366.2017.1368503.

39.

Visualizing the Microscopic World.

Cerqueira NMFSA, Fernandes PA, Ramos MJ.

Interdiscip Sci. 2018 Mar;10(1):105-110. doi: 10.1007/s12539-017-0255-2. Epub 2017 Aug 9.

PMID:
28791579
40.

The Catalytic Mechanism of the Pyridoxal-5'-phosphate-Dependent Enzyme, Histidine Decarboxylase: A Computational Study.

Fernandes HS, Ramos MJ, Cerqueira NMFSA.

Chemistry. 2017 Jul 6;23(38):9162-9173. doi: 10.1002/chem.201701375. Epub 2017 Jun 14.

PMID:
28613002
41.

Clarifying the Catalytic Mechanism of Human Glutamine Synthetase: A QM/MM Study.

Moreira C, Ramos MJ, Fernandes PA.

J Phys Chem B. 2017 Jul 6;121(26):6313-6320. doi: 10.1021/acs.jpcb.7b02543. Epub 2017 Jun 22.

PMID:
28587465
42.

Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase.

Neves RPP, Fernandes PA, Ramos MJ.

Proc Natl Acad Sci U S A. 2017 Jun 13;114(24):E4724-E4733. doi: 10.1073/pnas.1618985114. Epub 2017 May 30.

43.

The mechanism of the Ser-(cis)Ser-Lys catalytic triad of peptide amidases.

Cerqueira NMFSA, Moorthy H, Fernandes PA, Ramos MJ.

Phys Chem Chem Phys. 2017 May 21;19(19):12343-12354. doi: 10.1039/c7cp00277g. Epub 2017 Apr 28.

PMID:
28453015
44.

Revisiting Partition in Hydrated Bilayer Systems.

Coimbra JTS, Fernandes PA, Ramos MJ.

J Chem Theory Comput. 2017 May 9;13(5):2290-2299. doi: 10.1021/acs.jctc.6b01258. Epub 2017 Apr 13.

PMID:
28388088
45.

Pediatric asthma hospitalizations among urban minority children and the continuity of primary care.

Utidjian LH, Fiks AG, Localio AR, Song L, Ramos MJ, Keren R, Bell LM, Grundmeier RW.

J Asthma. 2017 Dec;54(10):1051-1058. doi: 10.1080/02770903.2017.1294695. Epub 2017 Feb 25.

PMID:
28332939
46.

Adipokine Levels Versus Hepatic Histopathology in Bariatric Surgery Patients.

D'Incao RB, Tovo CV, Mattevi VS, Borges DO, Ulbrich JM, Coral GP, Ramos MJ, Meinhardt NG.

Obes Surg. 2017 Aug;27(8):2151-2158. doi: 10.1007/s11695-017-2627-4.

PMID:
28281237
47.

VviAPRT3 and VviFSEX: Two Genes Involved in Sex Specification Able to Distinguish Different Flower Types in Vitis.

Coito JL, Ramos MJ, Cunha J, Silva HG, Amâncio S, Costa MM, Rocheta M.

Front Plant Sci. 2017 Jan 31;8:98. doi: 10.3389/fpls.2017.00098. eCollection 2017.

48.

Unique Triphenylphosphonium Derivatives for Enhanced Mitochondrial Uptake and Photodynamic Therapy.

Hu Z, Sim Y, Kon OL, Ng WH, Ribeiro AJ, Ramos MJ, Fernandes PA, Ganguly R, Xing B, García F, Yeow EK.

Bioconjug Chem. 2017 Feb 15;28(2):590-599. doi: 10.1021/acs.bioconjchem.6b00682. Epub 2017 Jan 18.

PMID:
28049291
49.

New Parameters for Higher Accuracy in the Computation of Binding Free Energy Differences upon Alanine Scanning Mutagenesis on Protein-Protein Interfaces.

Simões IC, Costa IP, Coimbra JT, Ramos MJ, Fernandes PA.

J Chem Inf Model. 2017 Jan 23;57(1):60-72. doi: 10.1021/acs.jcim.6b00378. Epub 2016 Dec 22.

PMID:
27936711
50.

A QM/MM study of the reaction mechanism of human β-ketoacyl reductase.

Medina FE, Neves RP, Ramos MJ, Fernandes PA.

Phys Chem Chem Phys. 2016 Dec 21;19(1):347-355. doi: 10.1039/c6cp07014k.

PMID:
27905606

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