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Items: 1 to 20 of 32

1.

Role of Charge Regulation and Fluctuations in the Conformational and Mechanical Properties of Weak Flexible Polyelectrolytes.

Blanco PM, Madurga S, Narambuena CF, Mas F, Garcés JL.

Polymers (Basel). 2019 Nov 29;11(12). pii: E1962. doi: 10.3390/polym11121962.

2.

Calculating the Partition Coefficients of Organic Solvents in Octanol/Water and Octanol/Air.

Nedyalkova MA, Madurga S, Tobiszewski M, Simeonov V.

J Chem Inf Model. 2019 May 28;59(5):2257-2263. doi: 10.1021/acs.jcim.9b00212. Epub 2019 May 7.

PMID:
31042037
3.
4.

Macromolecular diffusion in crowded media beyond the hard-sphere model.

Blanco PM, Garcés JL, Madurga S, Mas F.

Soft Matter. 2018 Apr 25;14(16):3105-3114. doi: 10.1039/c8sm00201k.

5.

Pre-selection and assessment of green organic solvents by clustering chemometric tools.

Tobiszewski M, Nedyalkova M, Madurga S, Pena-Pereira F, Namieśnik J, Simeonov V.

Ecotoxicol Environ Saf. 2018 Jan;147:292-298. doi: 10.1016/j.ecoenv.2017.08.057. Epub 2017 Sep 14.

PMID:
28850812
6.

Ionization and Conformational Equilibria of Citric Acid: Delocalized Proton Binding in Solution.

Madurga S, Nedyalkova M, Mas F, Garcés JL.

J Phys Chem A. 2017 Aug 10;121(31):5894-5906. doi: 10.1021/acs.jpca.7b05089. Epub 2017 Jul 31.

PMID:
28703587
7.

Insight into electric field-induced rupture mechanism of water-in-toluene emulsion films from a model system.

Dimova D, Pisov S, Panchev N, Nedyalkova M, Madurga S, Proykova A.

J Chem Phys. 2017 May 21;146(19):194703. doi: 10.1063/1.4983163.

8.

Iron oxide nanoparticles - In vivo/in vitro biomedical applications and in silico studies.

Nedyalkova M, Donkova B, Romanova J, Tzvetkov G, Madurga S, Simeonov V.

Adv Colloid Interface Sci. 2017 Nov;249:192-212. doi: 10.1016/j.cis.2017.05.003. Epub 2017 May 3. Review.

PMID:
28499604
9.

Analyzing slowly exchanging protein conformations by ion mobility mass spectrometry: study of the dynamic equilibrium of prolyl oligopeptidase.

López A, Vilaseca M, Madurga S, Varese M, Tarragó T, Giralt E.

J Mass Spectrom. 2016 Jul;51(7):504-11. doi: 10.1002/jms.3777.

PMID:
27434808
10.

Absence of a stable secondary structure is not a limitation for photoswitchable inhibitors of β-arrestin/β-Adaptin 2 protein-protein interaction.

Martín-Quirós A, Nevola L, Eckelt K, Madurga S, Gorostiza P, Giralt E.

Chem Biol. 2015 Jan 22;22(1):31-7. doi: 10.1016/j.chembiol.2014.10.022.

11.

Hydrogen/deuterium exchange-protected oligomers populated during Aβ fibril formation correlate with neuronal cell death.

Serra-Vidal B, Pujadas L, Rossi D, Soriano E, Madurga S, Carulla N.

ACS Chem Biol. 2014 Nov 21;9(11):2678-85. doi: 10.1021/cb500621x. Epub 2014 Sep 29.

PMID:
25265274
12.

Monte Carlo simulations of enzymatic reactions in crowded media. Effect of the enzyme-obstacle relative size.

Pitulice L, Vilaseca E, Pastor I, Madurga S, Garcés JL, Isvoran A, Mas F.

Math Biosci. 2014 May;251:72-82. doi: 10.1016/j.mbs.2014.03.012. Epub 2014 Mar 26.

PMID:
24680707
13.

Macromolecular crowding effect upon in vitro enzyme kinetics: mixed activation-diffusion control of the oxidation of NADH by pyruvate catalyzed by lactate dehydrogenase.

Balcells C, Pastor I, Vilaseca E, Madurga S, Cascante M, Mas F.

J Phys Chem B. 2014 Apr 17;118(15):4062-8. doi: 10.1021/jp4118858. Epub 2014 Apr 2.

14.

Effect of crowding by Dextrans in enzymatic reactions.

Pastor I, Pitulice L, Balcells C, Vilaseca E, Madurga S, Isvoran A, Cascante M, Mas F.

Biophys Chem. 2014 Jan;185:8-13. doi: 10.1016/j.bpc.2013.10.006. Epub 2013 Nov 5.

15.

Molecular dynamics simulation of the spherical electrical double layer of a soft nanoparticle: effect of the surface charge and counterion valence.

Nedyalkova M, Madurga S, Pisov S, Pastor I, Vilaseca E, Mas F.

J Chem Phys. 2012 Nov 7;137(17):174701. doi: 10.1063/1.4762830.

PMID:
23145736
16.

A semi-grand canonical Monte Carlo simulation model for ion binding to ionizable surfaces: proton binding of carboxylated latex particles as a case study.

Madurga S, Rey-Castro C, Pastor I, Vilaseca E, David C, Garcés JL, Puy J, Mas F.

J Chem Phys. 2011 Nov 14;135(18):184103. doi: 10.1063/1.3658484.

17.

Aβ40 and Aβ42 amyloid fibrils exhibit distinct molecular recycling properties.

Sánchez L, Madurga S, Pukala T, Vilaseca M, López-Iglesias C, Robinson CV, Giralt E, Carulla N.

J Am Chem Soc. 2011 May 4;133(17):6505-8. doi: 10.1021/ja1117123. Epub 2011 Apr 12.

PMID:
21486030
18.

New insights into diffusion in 3D crowded media by Monte Carlo simulations: effect of size, mobility and spatial distribution of obstacles.

Vilaseca E, Isvoran A, Madurga S, Pastor I, Garcés JL, Mas F.

Phys Chem Chem Phys. 2011 Apr 28;13(16):7396-407. doi: 10.1039/c0cp01218a. Epub 2011 Mar 17.

PMID:
21412541
19.

Effect of crowding by dextrans on the hydrolysis of N-Succinyl-L-phenyl-Ala-p-nitroanilide catalyzed by α-chymotrypsin.

Pastor I, Vilaseca E, Madurga S, Garcés JL, Cascante M, Mas F.

J Phys Chem B. 2011 Feb 10;115(5):1115-21. doi: 10.1021/jp105296c. Epub 2010 Dec 29.

20.

Relevant elements of a maize gamma-zein domain involved in protein body biogenesis.

Llop-Tous I, Madurga S, Giralt E, Marzabal P, Torrent M, Ludevid MD.

J Biol Chem. 2010 Nov 12;285(46):35633-44. doi: 10.1074/jbc.M110.116285. Epub 2010 Sep 9.

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