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Hydrogen Bonding
58
"Three new dihydro-β-agarofuran sesquiterpenes from the seeds of Maytenus boaria" (2018) Paz, C.;Heydenreich, M.;Schmidt, B. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(5):564-570
"A dihydro-β-agarofuran sesquiterpene from Maytenus boaria" (2017) Paz, C.;Von Dossow, D.;Tiznado, V. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(6):451-457
"Fluorinated oxysterol analogues: Synthesis, molecular modelling and LXRβ activity" (2017) Rodriguez, C.R.;Alvarez, L.D.;Dansey, M.V. (...)Burton, G. Journal of Steroid Biochemistry and Molecular Biology. 165:268-276
"Aromatic nucleophilic substitution in aprotic solvents using hydrogen-bonded biological amines. Kinetic studies and quantum chemical calculations" (2016) Alvaro, C.E.S.;Bergero, F.D.;Bolcic, F.M. (...)Sbarbati Nudelman, N. Journal of Physical Organic Chemistry. 29(11):565-573
"Molecular mechanism of myoglobin autoxidation: Insights from computer simulations" (2015) Arcon, J.P.;Rosi, P.;Petruk, A.A. (...)Estrin, D.A. Journal of Physical Chemistry A. 119(5):1802-1813
"Equilibrium and Dynamical Characteristics of Imidazole Langmuir Monolayers on Graphite Sheets" (2015) Rodriguez, J.; Elola, M.D.; Laria, D. Journal of Physical Chemistry B. 119(29):9123-9128
"Fluorescence enhancement of a fluorescein derivative upon adsorption on cellulose" (2014) Lopez, S.G.;Crovetto, L.;Alvarez-Pez, J.M. (...)San Román, E. Photochemical and Photobiological Sciences. 13(9):1311-1320
"Interplay of the H-bond donor-acceptor role of the distal residues in hydroxyl ligand stabilization of Thermobifida fusca truncated hemoglobin" (2014) Nicoletti, F.P.;Bustamante, J.P.;Droghetti, E. (...)Smulevich, G. Biochemistry. 53(51):8021-8030
"Hobartine: A tetracyclic indole alkaloid extracted from Aristotelia chilensis (maqui)" (2014) Paz Robles, C.; Badilla Vidal, N.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1075-1078
"Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from Drimys winteri extracts" (2014) Paz Robles, C.; Mercado, D.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1112-1115
"Aqueous solvent effects on the conformational space of tryptamine. Structural and electronic analysis" (2013) Lobayan, R.M.; Schmit, M.C.P.; Jubert, A.H.; Vitale, A. Journal of Molecular Modeling. 19(3):1109-1123
"H-bonding networks of the distal residues and water molecules in the active site of Thermobifida fusca hemoglobin" (2013) Nicoletti, F.P.;Droghetti, E.;Howes, B.D. (...)Smulevich, G. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1901-1909
"The key role of water in the dioxygenase function of Escherichia coli flavohemoglobin" (2013) Ferreiro, D.N.; Boechi, L.; Estrin, D.A.; Martí, M.A. Journal of Inorganic Biochemistry. 119:75-84
"Three transition-metal complexes with the macrocyclic ligand meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (L): [Cu(ClO4)2(L)], [Zn(NO3)2(L)] and [CuCl(L)(H2O)]Cl" (2013) Yasmin, S.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(8):862-867
"Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): Structural and computational study" (2013) Rudzka, K.;Moreno, D.M.;Eipper, B. (...)Amzel, L.M. Journal of Biological Inorganic Chemistry. 18(2):223-232
"Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane" (2013) Nath, B.C.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(7):689-695
"Electrostatically driven second-sphere ligand switch between high and low reorganization energy forms of native cytochrome c" (2013) Alvarez-Paggi, D.;Castro, M.A.;Tórtora, V. (...)Murgida, D.H. Journal of the American Chemical Society. 135(11):4389-4397
"Eosin y triplet state as a probe of spatial heterogeneity in microcrystalline cellulose" (2012) Rodríguez, H.B.;Román, E.S.;Duarte, P. (...)Vieira Ferreira, L.F. Photochemistry and Photobiology. 88(4):831-839
"Four NiII complexes with the new cyclam-methylimidazole ligand 1-[(1-methyl-1H-imidazol-2-yl)methyl]-1,4,8,11-tetraazacyclotetradecane" (2012) De Candia, A.G.; Molnar, M.; Slep, L.D.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 68(5):m121-m126
"CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?" (2012) Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Physical Chemistry A. 116(49):12175-12183
"The crystal structure of the MAP kinase LmaMPK10 from leishmania major reveals parasite-specific features and regulatory mechanisms" (2012) Horjales, S.;Schmidt-Arras, D.;Limardo, R.R. (...)Buschiazzo, A. Structure. 20(10):1649-1660
"Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate" (2011) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 67(5):m140-m144
"A comparative study of the O-3 reactivity of isomeric N-dimethylmaleoyl- protected d-glucosamine and d-allosamine acceptors" (2011) Colombo, M.I.; Stortz, C.A.; Rúveda, E.A. Carbohydrate Research. 346(5):569-576
"The crystal structure of the elusive huemulite" (2011) Colombo, F.; Baggio, R.; Kampf, A.R. Canadian Mineralogist. 49(3):849-864
"Structure of supercooled water in clusters and bulk and its relation to the two-state picture of water: results from the TIP4P-ice model." (2011) Constantin, J.G.;Fris, A.R.;Appignanesi, G. (...)Corti, H. The European physical journal. E, Soft matter. 34(11):126
"Structural basis for ligand recognition in a mushroom lectin: Solvent structure as specificity predictor" (2011) Gauto, D.F.;Di Lella, S.;Estrin, D.A. (...)Martí, M.A. Carbohydrate Research. 346(7):939-948
"Molecular basis for the substrate stereoselectivity in tryptophan dioxygenase" (2011) Capece, L.;Lewis-Ballester, A.;Marti, M.A. (...)Yeh, S.-R. Biochemistry. 50(50):10910-10918
"Proton transfer from 2-naphthol to aliphatic amines in supercritical CO 2" (2011) Simoncelli, S.; Hoijemberg, P.A.; Japas, M.L.; Aramendía, P.F. Journal of Physical Chemistry A. 115(50):14243-14248
"Structure of supercooled water in clusters and bulk and its relation to the two-state picture of water: Results from the TIP4P-ice model" (2011) Gelman Constantin, J.;Rodriguez Fris, A.;Appignanesi, G. (...)Corti, H. European Physical Journal E. 34(11)
"Fluoride as a probe for h-bonding interactions in the active site of heme proteins: The case of thermobifida fusca hemoglobin" (2011) Nicoletti, F.P.;Droghetti, E.;Boechi, L. (...)Smulevich, G. Journal of the American Chemical Society. 133(51):20970-20980
"1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?" (2011) Cormanich, R.A.;Moreira, M.A.;Freitas, M.P. (...)Tormena, C.F. Magnetic Resonance in Chemistry. 49(12):763-767
"Diaqua-(oxydiacetato-3 O,O′,O″)(pyridine-3- carboxamide-N 1)copper(II)" (2009) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 65(8):m296-m298
"Conformational and electronic effects on the regioselectivity of the glycosylation of different anomers of N-dimethylmaleoyl-protected glucosamine acceptors" (2008) Bohn, M.L.; Colombo, M.I.; Rúveda, E.A.; Stortz, C.A. Organic and Biomolecular Chemistry. 6(3):554-561
"Structural and functional properties of hydration and confined water in membrane interfaces" (2008) Disalvo, E.A.;Lairion, F.;Martini, F. (...)Gordillo, G.J. Biochimica et Biophysica Acta - Biomembranes. 1778(12):2655-2670
"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
"Theoretical insight into the hydroxylamine oxidoreductase mechanism" (2008) Fernández, M.L.; Estrin, D.A.; Bari, S.E. Journal of Inorganic Biochemistry. 102(7):1523-1530
"Dynamical regulation of ligand migration by a gate-opening molecular switch in truncated hemoglobin-N from Mycobacterium tuberculosis" (2007) Bidon-Chanal, A.; Martí, M.A.; Estrin, D.A.; Luque, F.J. Journal of the American Chemical Society. 129(21):6782-6788
"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
"Two distinct heme distal site states define Cerebratulus lacteus mini-hemoglobin oxygen affinity" (2006) Martí, M.A.;Bikiel, D.E.;Crespo, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 62(3):641-648
"Proximal effects in the modulation of nitric oxide synthase reactivity: A QM-MM study" (2005) Fernández, M.L.; Martí, M.A.; Crespo, A.; Estrin, D.A. Journal of Biological Inorganic Chemistry. 10(6):595-604
"A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions" (2005) Guàrdia, E.; Martí, J.; García-Tarrés, L.; Laria, D. Journal of Molecular Liquids. 117(1-3):63-67
"Free energy contributions to direct readout of a DNA sequence" (2005) Ferreiro, D.U.; Dellarole, M.; Nadra, A.D.; De Prat-Gay, G. Journal of Biological Chemistry. 280(37):32480-32484
"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
"Modulation of the NO trans effect in heme proteins: Implications for the activation of soluble guanylate cyclase" (2003) Martí, M.A.;Scherlis, D.A.;Doctorovich, F.A. (...)Estrin, D.A. Journal of Biological Inorganic Chemistry. 8(6):595-600
"Topological and NBO analysis of hydrogen bonding interactions involving C-H···O bonds" (2002) Sosa, G.L.; Peruchena, N.M.; Contreras, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 577(2-3):219-228
"Hydrogen bonding and O2 affinity of hemoglobins [3]" (2001) Scherlis, D.A.; Estrin, D.A. Journal of the American Chemical Society. 123(34):8436-8437
"Disaccharide conformational maps: How adiabatic is an adiabatic map?" (1999) Stortz, C.A. Carbohydrate Research. 322(1-2):77-86
"Topological analysis of hydrogen bonding interactions involving C-H...O bonds" (1997) Sosa, G.L.; Peruchena, N.; Contreras, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 401(1-2):77-85
"1 H and 13 C NMR studies of substituted nitropyridines and nitrobenzenes" (1986) Nudelman, N.S.; Cerdeira, S.B. Magnetic Resonance in Chemistry. 24(6):507-511