Navegar

Colección

Datos Estadísticas

Lista de

chemical model
57
"Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions:" (2018) Dennehy, M.;Amo-Ochoa, P.;Freire, E. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(2):186-193
"Inferring repeat-protein energetics from evolutionary information" (2017) Espada, R.;Parra, R.G.;Mora, T. (...)Ferreiro, D.U. PLoS Computational Biology. 13(6)
"Predicting the bioconcentration factor through a conformation-independent QSPR study" (2017) Aranda, J.F.;Bacelo, D.E.;Leguizamón Aparicio, M.S. (...)Duchowicz, P.R. SAR and QSAR in Environmental Research. 28(9):749-763
"Structural and Energetic Characterization of the Ankyrin Repeat Protein Family" (2015) Parra, R.G.; Espada, R.; Verstraete, N.; Ferreiro, D.U. PLoS Computational Biology. 11(12)
"Combined experimental and computational investigation of the absorption spectra of E- and Z-cinnamic acids in solution: The peculiarity of Z-cinnamics" (2015) Salum, M.L.; Arroyo Mañez, P.; Luque, F.J.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 148:128-135
"Formation of complexes between hematite nanoparticles and a non-conventional galactomannan gum. Toward a better understanding on interaction processes" (2015) Busch, V.M.;Loosli, F.;Santagapita, P.R. (...)Stoll, S. Science of the Total Environment. 532:556-563
"Insights into the mechanism of the reaction between hydrogen sulfide and peroxynitrite" (2015) Cuevasanta, E.;Zeida, A.;Carballal, S. (...)Alvarez, B. Free Radical Biology and Medicine. 80:93-100
"Wave turbulence in shallow water models" (2014) Clark Di Leoni, P.; Cobelli, P.J.; Mininni, P.D. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 89(6)
"Retrieval of relevant parameters of natural multilayer systems by means of bio-inspired optimization strategies" (2013) Macías, D.;Luna, A.;Skigin, D. (...)Schinca, D. Applied Optics. 52(11):2511-2520
"Classical transients and the support of open quantum maps" (2013) Carlo, G.G.;Wisniacki, D.A.;Ermann, L. (...)Borondo, F. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(1)
"Ideal evolution of magnetohydrodynamic turbulence when imposing Taylor-Green symmetries" (2013) Brachet, M.E.;Bustamante, M.D.;Krstulovic, G. (...)Rosenberg, D. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(1)
"Sensitivity to perturbations and quantum phase transitions" (2013) Wisniacki, D.A.; Roncaglia, A.J. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(5)
"From free to effective diffusion coefficients in fluorescence correlation spectroscopy experiments" (2013) Ipiña, E.P.; Dawson, S.P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(2)
"Modelling chlorophyll fluorescence of kiwi fruit (Actinidia deliciosa)" (2012) Novo, J.M.; Iriel, A.; Lagorio, M.G. Photochemical and Photobiological Sciences. 11(4):724-730
"Chemical Reaction Systems with Toric Steady States" (2012) Pérez Millán, M.; Dickenstein, A.; Shiu, A.; Conradi, C. Bulletin of Mathematical Biology. 74(5):1027-1065
"Beating spatio-temporal coupling: Implications for pulse shaping and coherent control experiments" (2011) Brinks, D.; Hildner, R.; Stefani, F.D.; Van Hulst, N.F. Optics Express. 19(27):26486-26499
"Cadmium toxicity in tadpoles of Rhinella arenarum in relation to calcium and humic acids" (2011) Mastrángelo, M.; Dos Santos Afonso, M.; Ferrari, L. Ecotoxicology. 20(6):1225-1232
"Influence of hydrodynamic coupling on the electric linear dichroism of DNA fragments" (2011) Umazano, J.P.; Bertolotto, J.A. Journal of Chemical Physics. 134(12)
"How Far is Complex Balancing from Detailed Balancing?" (2011) Dickenstein, A.; Millán, M.P. Bulletin of Mathematical Biology. 73(4):811-828
"Degradation of β-carotene in amorphous polymer matrices. Effect of water sorption properties and physical state" (2011) Ramoneda, X.A.; Ponce-Cevallos, P.A.; Buera, M.D.P.; Elizalde, B.E. Journal of the Science of Food and Agriculture. 91(14):2587-2593
"Aromatic-aromatic interactions in proteins: Beyond the dimer" (2011) Lanzarotti, E.;Biekofsky, R.R.;Estrin, D.A. (...)Turjanski, A.G. Journal of Chemical Information and Modeling. 51(7):1623-1633
"Simulations of transport regime in electrodeposition in different viscosity scenarios" (2010) Gutman Grinbank, S.;Soba, A.;Gonzalez, G.A. (...)Marshall, G. 2010 32nd Annual International Conference of the IEEE Engineering in Medicine and Biology Society, EMBC'10:3241-3244
"How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study" (2009) Turjanski, A.G.; Hummer, G.; Gutkind, J.S. Journal of the American Chemical Society. 131(17):6141-6148
"Critical role of the solvent environment in galectin-1 binding to the disaccharide lactose" (2009) Di Lella, S.;Ma, L.;Díaz Ricci, J.C. (...)Álvarez, R.M.S. Biochemistry. 48(4):786-791
"Molecular basis for the ph dependent structural transition of nitrophorin 4" (2009) Martí, M.A.; Estrin, D.A.; Roitberg, A.E. Journal of Physical Chemistry B. 113(7):2135-2142
"Density profiles of Ar adsorbed in slits of C O2: Spontaneous symmetry breaking revisited" (2008) Szybisz, L.; Sartarelli, S.A. Journal of Chemical Physics. 128(12)
"Nitrosation of N-methylhydroxylamine by nitroprusside. A kinetic and mechanistic study" (2008) Gutiérrez, M.M.; Alluisetti, G.B.; Olabe, J.A.; Amorebieta, V.T. Dalton Transactions(37):5025-5030
"1-D polymers with alternate Cu2 and Ln2 units (Ln = Gd, Er, Y) and carboxylate linkages" (2008) Calvo, R.;Rapp, R.E.;Chagas, E. (...)Perec, M. Inorganic Chemistry. 47(22):10389-10397
"On the unusual 2JC2-Hf coupling dependence on syn/anti CHO conformation in 5-X-furan-2-carboxaldehydes" (2008) Pérez, C.;Suardíaz, R.;Ortiz, P.J. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 46(9):846-850
"Atomic partition of the optical rotatory power of methylhydroperoxide" (2008) Sánchez, M.;Ferraro, M.B.;Alkorta, I. (...)Sauer, S.P.A. Journal of Chemical Physics. 128(6)
"Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest" (2008) Botek, E.;Giribet, C.;De Azua, M.R. (...)Bernik, D. Journal of Physical Chemistry A. 112(30):6992-6998
"Turing patterns inside cells" (2007) Strier, D.E.; Dawson, S.P. PLoS ONE. 2(10)
"Two new dialkoxycarbonylated nucleosides obtained through a regioselective enzymatic alcoholysis" (2007) Capello, M.; Imanishi, L.; Iglesias, L.E.; Iribarren, A.M. Biotechnology Letters. 29(8):1217-1220
"Vibrational spectra, NMR and theoretical studies of the enantiomers and rotamers of alpha-cypermethrin" (2007) Jubert, A.H.;Alegre, M.L.;Diez, R.P. (...)Szewczuk, V.D. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 66(4-5):1208-1221
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics" (2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"Modeling heme proteins using atomistic simulations" (2006) Bikiel, D.E.;Boechi, L.;Capece, L. (...)Estrin, D.A. Physical Chemistry Chemical Physics. 8(48):5611-5628
"Hypothyroid phenotype is contributed by mitochondrial complex I inactivation due to translocated neuronal nitric-oxide synthase" (2006) Franco, M.C.;Antico Arciuch, V.G.;Peralta, J.G. (...)Carreras, M.C. Journal of Biological Chemistry. 281(8):4779-4786
"Nanostructured modified electrodes: Role of ions and solvent flux in redox active polyelectrolyte multilayer films" (2006) Tagliazucchi, M.; Grumelli, D.; Calvo, E.J. Physical Chemistry Chemical Physics. 8(43):5086-5095
"An orbital localization criterion based on the theory of "fuzzy" atoms" (2006) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Computational Chemistry. 27(5):596-608
"Quasi-equilibrium volume changes of polyaniline films upon redox switching. formal potential distribution and configurational modeling" (2005) Lizarraga, L.; Andrade, E.M.; Florit, M.I.; Molina, F.V. Journal of Physical Chemistry B. 109(40):18815-18821
"Mechanisms of NO release by N1-nitrosomelatonin: Nucleophilic attack versus reducing pathways" (2005) De Biase, P.M.; Turjanski, A.G.; Estrin, D.A.; Doctorovich, F. Journal of Organic Chemistry. 70(15):5790-5798
"Solvation and structure of LiAIH4 in ethereal solvents" (2005) Bikiel, D.E.;Di Salvo, F.;González Lebrero, M.C. (...)Estrin, D.A. Inorganic Chemistry. 44(15):5286-5292
"Solvent effects on peroxynitrite structure and properties from QM/MM simulations" (2005) Lebrero, M.C.G.; Perissinotti, L.L.; Estrin, D.A. Journal of Physical Chemistry A. 109(42):9598-9604
"Solvation of Coumarin 314 at water/air interfaces containing anionic surfactants. I. Low coverage" (2005) Pantano, D.A.; Sonoda, M.T.; Skaf, M.S.; Laria, D. Journal of Physical Chemistry B. 109(15):7365-7372
"Modeling solid-state effects on NMR chemical shifts using electrostatic models" (2004) Di Fiori, N.;Orendt, A.M.;Caputo, M.C. (...)Facelli, J.C. Magnetic Resonance in Chemistry. 42(SPLISS1):S41-S47
"Role of complexing agents in the appearance of Turing patterns" (2004) Strier, D.E.; Dawson, S.P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 69(6 2):066207-1-066207-10
"Mepyramine, a histamine H1 receptor inverse agonist, binds preferentially to a G protein-coupled form of the receptor and sequesters G protein" (2004) Fitzsimons, C.P.;Monczor, F.;Fernández, N. (...)Davio, C. Journal of Biological Chemistry. 279(33):34431-34439
"Correlation between gel structural properties and drug release pattern in scleroglucan matrices" (2003) Daraio, M.E.; François, N.; Bernik, D.L. Drug Delivery: Journal of Delivery and Targeting of Therapeutic Agents. 10(2):79-85
"Fast Nitroxyl Trapping by Ferric Porphyrins" (2003) Bari, S.E.;Martí, M.A.;Amorebieta, V.T. (...)Doctorovich, F. Journal of the American Chemical Society. 125(50):15272-15273
"6,19-carbon-bridged steroids. Synthesis of 6,19-methano-progesterone" (2003) Joselevich, M.; Ghini, A.A.; Burton, G. Organic and Biomolecular Chemistry. 1(6):939-943
"Nitric oxide binding to ferric cytochrome P450: A computational study" (2000) Scherlis, D.A.; Cymeryng, C.B.; Estrin, D.A. Inorganic Chemistry. 39(11):2352-2359
"Modeling NMR chemical shifts: A comparison of charge models for solid state effects on 15 N chemical shift tensors" (1998) Ferraro, M.B.; Repetto, V.; Facelli, J.C. Solid State Nuclear Magnetic Resonance. 10(4):185-189
"Allosteric properties of yeast glycogen synthetase. I. General kinetic study" (1967) Rothman, L.B.; Cabib, E. Biochemistry. 6(7):2098-2106