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Ligands

153

"Donor-acceptor interactions: Transition metal carbonyl group ligand [TM(CO) 6 ] q complexes. A case study at correlated level from the topological density point of view" (2019) Bochicchio, R.C.; Lobayan, R.M.; del Valle, C.P. International Journal of Quantum Chemistry. 119(9)

"Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis" (2018) Espinoza-Cara, A.;Zitare, U.;Alvarez-Paggi, D. (...)Vila, A.J. Chemical Science. 9(32):6692-6702

"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

"Solvents to fragments to drugs: MD applications in drug design" (2018) Defelipe, L.A.;Arcon, J.P.;Modenutti, C.P. (...)Barril, X. Molecules. 23(12)

"Cold-Adaptation Signatures in the Ligand Rebinding Kinetics to the Truncated Hemoglobin of the Antarctic Bacterium Pseudoalteromonas haloplanktis TAC125" (2018) Boubeta, F.M.;Boechi, L.;Estrin, D. (...)Viappiani, C. Journal of Physical Chemistry B. 122(49):11649-11661

"Induction of ATP release, PPIX transport, and cholesterol uptake by human red blood cells using a new family of TSPO ligands" (2018) Marginedas-Freixa, I.;Alvarez, C.L.;Moras, M. (...)Ostuni, M.A. International Journal of Molecular Sciences. 19(10)

"Tuning of Enthalpic/Entropic Parameters of a Protein Redox Center through Manipulation of the Electronic Partition Function" (2017) Alvarez-Paggi, D.;Zitare, U.A.;Szuster, J. (...)Murgida, D.H. Journal of the American Chemical Society. 139(29):9803-9806

"Chemical characterization of Pseudomonas veronii 2E soluble exopolymer as Cd(II) ligand for the biotreatment of electroplating wastes" (2017) Ferreira, M.L.;Casabuono, A.C.;Stacchiotti, S.T. (...)Vullo, D.L. International Biodeterioration and Biodegradation. 119:605-613

"A mass spectrometry and DFT study of pyrithione complexes with transition metals in the gas phase" (2017) Butler, M.; Cabrera, G.M. Journal of Mass Spectrometry. 52(11):728-738

"Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN1)dichloridocobalt(II)" (2017) Sanchez Montilva, O.C.; Movilla, F.; Rodriguez, M.G.; Di Salvo, F. Acta Crystallographica Section C: Structural Chemistry. 73(5):399-406

"NO disproportionation by a {RhNO}9 pincer-type complex" (2017) Gaviglio, C.; Pellegrino, J.; Milstein, D.; Doctorovich, F. Dalton Transactions. 46(48):16878-16884

"Synthesis of β-galactosylamides as ligands of the peanut lectin. Insights into the recognition process" (2017) Cano, M.E.;Varela, O.;García-Moreno, M.I. (...)Uhrig, M.L. Carbohydrate Research. 443-444:58-67

"LigQ: A Webserver to Select and Prepare Ligands for Virtual Screening" (2017) Radusky, L.;Ruiz-Carmona, S.;Modenutti, C. (...)Martí, M.A. Journal of Chemical Information and Modeling. 57(8):1741-1746

"Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions" (2017) Arcon, J.P.;Defelipe, L.A.;Modenutti, C.P. (...)Martí, M.A. Journal of Chemical Information and Modeling. 57(4):846-863

"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

"An integrative in-silico approach for therapeutic target identification in the human pathogen Corynebacterium diphtheriae" (2017) Jamal, S.B.;Hassan, S.S.;Tiwari, S. (...)Azevedo, V.A.C. PLoS ONE. 12(10)

"A quantitative model for oxygen uptake and release in a family of hemeproteins" (2016) Bustamante, J.P.;Szretter, M.E.;Sued, M. (...)Boechi, L. Bioinformatics. 32(12):1805-1813

"Phototriggered fibril-like environments arbitrate cell escapes and migration from endothelial monolayers" (2016) Salierno, M.J.;García-Fernandez, L.;Carabelos, N. (...)Campo, A.D. Biomaterials. 82:113-123

"Tuning the structure, dimensionality and luminescent properties of lanthanide metal-organic frameworks under ancillary ligand influence" (2016) D'Vries, R.F.;Gomez, G.E.;Hodak, J.H. (...)Ellena, J. Dalton Transactions. 45(2):646-656

"Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure" (2016) Romero, J.M.;Trujillo, M.;Estrin, D.A. (...)Di Lella, S. Glycobiology. 26(12):1317-1327

"Shaping the Immune Landscape in Cancer by Galectin-Driven Regulatory Pathways" (2016) Rabinovich, G.A.; Conejo-García, J.R. Journal of Molecular Biology. 428(16):3266-3281

"Access and Binding of H2S to Hemeproteins: The Case of HbI of Lucina pectinata" (2016) Boubeta, F.M.; Bari, S.E.; Estrin, D.A.; Boechi, L. Journal of Physical Chemistry B. 120(36):9642-9653

"Depicting electronic distributions from accurate computational first principles: On the relationship between the complex patterns of bonding interaction and the back-donation phenomenon" (2016) Lobayan, R.M.; Bochicchio, R.C.; Pérez del Valle, C. International Journal of Quantum Chemistry. 116(24):1851-1861

"Editorial: Immunophilins, protein chemistry and cell biology of a promising new class of drug targets – Part I" (2016) Galigniana, M.D. Current Molecular Pharmacology. 9(1):3-4

"A novel oxido-vanadium(V) Schiff base complex: Synthesis, spectral characterization, crystal structure, electrochemical evaluation, and biological activity" (2016) Ebrahimipour, S.Y.;Mohamadi, M.;Sheikhshoaie, I. (...)Khaleghi, M. Research on Chemical Intermediates. 42(2):611-623

"Latest advances in OBOC peptide libraries. Improvements in screening strategies and enlarging the family from linear to cyclic libraries" (2016) Martínez-Ceron, M.C.;Giudicessi, S.L.;Saavedra, S.L. (...)Camperi, S.A. Current Pharmaceutical Biotechnology. 17(5):449-457

"Structural Plasticity in Globins: Role of Protein Dynamics in Defining Ligand Migration Pathways" (2016) Estarellas, C.;Capece, L.;Seira, C. (...)Christov C.Z. Advances in Protein Chemistry and Structural Biology. 105:59-80

"Spectroscopic signatures of ligand field states in {RuII(imine)} complexes" (2016) Cadranel, A.;Pieslinger, G.E.;Tongying, P. (...)Hodak, J.H. Dalton Transactions. 45(13):5464-5475

"How Does Confinement Change Ligand-Receptor Binding Equilibrium? Protein Binding in Nanopores and Nanochannels" (2015) Tagliazucchi, M.; Szleifer, I. Journal of the American Chemical Society. 137(39):12539-12551

"One-Photon Lithography for High-Quality Lipid Bilayer Micropatterns" (2015) Sánchez, M.F.; Dodes Traian, M.M.; Levi, V.; Carrer, D.C. Langmuir. 31(43):11943-11950

"Synthetic DAF-12 modulators with potential use in controlling the nematode life cycle" (2015) Dansey, M.V.;Alvarez, L.D.;Samaja, G. (...)Burton, G. Biochemical Journal. 465:175-184

"Exploring the molecular basis of action of ring D aromatic steroidal antiestrogens" (2015) Alvarez, L.D.; Veleiro, A.S.; Burton, G. Proteins: Structure, Function and Bioinformatics. 83(7):1297-1306

"Engineered chimeras reveal the structural basis of hexacoordination in globins: A case study of neuroglobin and myoglobin" (2015) Boron, I.;Capece, L.;Pennacchietti, F. (...)Nadra, A.D. Biochimica et Biophysica Acta - General Subjects. 1850(1):169-177

"Destabilization of the torsioned conformation of a ligand side chain inverts the LXRβ activity" (2015) Álvarez, L.D.;Dansey, M.V.;Grinman, D.Y. (...)Burton, G. Biochimica et Biophysica Acta - Molecular and Cell Biology of Lipids. 1851(12):1577-1586

"Cobalt and iron complexes with N-heterocyclic ligands as pyrolysis precursors for oxygen reduction catalysts" (2015) Roncaroli, F.;Dal Molin, E.S.;Viva, F.A. (...)Halac, E.B. Electrochimica Acta. 174(1):66-77

"Norharmane rhenium(i) polypyridyl complexes: Synthesis, structural and spectroscopic characterization" (2015) Maisuls, I.;Wolcan, E.;Piro, O.E. (...)Ruiz, G.T. Dalton Transactions. 44(39):17064-17074

"Immunophilins, protein chemistry and cell biology of a promising new class of drug targets – Part II" (2015) Galigniana, M.D. Current Molecular Pharmacology. 9(2):97-98

"Fluorescent ligands and energy transfer in photoactive ruthenium-bipyridine complexes" (2014) Carrone, G.; Gantov, F.; Slep, L.D.; Etchenique, R. Journal of Physical Chemistry A. 118(45):10416-10424

"The structure of {[Co(pht)(bpy)(H2O)] 3H2O} n (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability" (2014) Harvey, M.A.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70(5):440-444

"Interactions of gold nanoparticles with a phospholipid monolayer membrane on mercury" (2014) Gordillo, G.J.; Krpetić, Z.; Brust, M. ACS Nano. 8(6):6074-6080

"Peroxisome proliferator-activated receptor ligands regulate lipid content, metabolism, and composition in fetal lungs of diabetic rats" (2014) Kurtz, M.;Capobianco, E.;Careaga, V. (...)Jawerbaum, A. Journal of Endocrinology. 220(3):345-359

"Coupling of tyrosine deprotonation and axial ligand exchange in nitrocytochrome c" (2014) Capdevila, D.A.;Álvarez-Paggi, D.;Castro, M.A. (...)Murgida, D.H. Chemical Communications. 50(20):2592-2594

"Ligand uptake modulation by internal water molecules and hydrophobic cavities in hemoglobins" (2014) Bustamante, J.P.;Abbruzzetti, S.;Marcelli, A. (...)Viappiani, C. Journal of Physical Chemistry B. 118(5):1234-1245

"Utilization of extracellular information before ligand-receptor binding reaches equilibrium expands and shifts the input dynamic range" (2014) Ventura, A.C.;Bush, A.;Vasen, G. (...)Colman-Lerner, A. Proceedings of the National Academy of Sciences of the United States of America. 111(37):E3860-E3869

"A racemic and enantiopure unsymmetric diiron(III) complex with a chiral o-carborane-based pyridylalcohol ligand: Combined chiroptical, magnetic, and nonlinear optical properties" (2014) Di Salvo, F.;Tsang, M.Y.;Teixidor, F. (...)Hursthouse, M.B. Chemistry - A European Journal. 20(4):1081-1090

"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

"Design and synthesis of hydrolytically stable multivalent ligands bearing thiodigalactoside analogues for peanut lectin and human galectin-3 binding" (2014) Cagnoni, A.J.; Kovensky, J.; Uhrig, M.L. Journal of Organic Chemistry. 79(14):6456-6467

"Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ2 N,N')nickel(II) sulfate monohydrate: A simple molecule with an extremely complex hydrogen-bonding scheme" (2013) Suarez, S.; Doctorovich, F.; Harvey, M.A.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(4):351-355

"Folding of a cyclin box: Linking multitarget binding to marginal stability, oligomerization, and aggregation of the retinoblastoma tumor suppressor ab pocket domain" (2013) Chemes, L.B.; Noval, M.G.; Sánchez, I.E.; De Prat-Gay, G. Journal of Biological Chemistry. 288(26):18923-18938

"27-Nor-Δ4-dafachronic acid is a synthetic ligand of Caenorhabditis elegans DAF-12 receptor" (2013) Samaja, G.A.;Castro, O.;Alvarez, L.D. (...)Burton, G. Bioorganic and Medicinal Chemistry Letters. 23(10):2893-2896

"Two isomorphous transition metal complexes displaying a coordinated tetrathionate unit: Bis(4,4′-dimethyl-2,2′-bipyridine- κ2 N,N′)(tetrathionato-κ2 S,S′)cadmium(II) dimethylformamide disolvate and the zinc(II) analogue" (2013) Harvey, M.A.; Suarez, S.; Doctorovich, F.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(7):745-749

"Solvent structure improves docking prediction in lectin-carbohydrate complexes" (2013) Gauto, D.F.;Petruk, A.A.;Modenutti, C.P. (...)Martí, M.A. Glycobiology. 23(2):241-258

"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738

"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

"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

"H-bonded supramolecular assembly via proton transfer: Isolation, X-ray crystallographic characterization and SOD mimic activity of [Cu(dipic) 2 ] 2 [PA-H] 4 ·5H 2 O" (2013) Siddiqi, Z.A.;Khalid, M.;Shahid, M. (...)Anjuli Journal of Molecular Structure. 1033:98-103

"Hydrophobic effect drives oxygen uptake in myoglobin via histidine E7" (2013) Boechi, L.;Arrar, M.;Martí, M.A. (...)Estrin, D.A. Journal of Biological Chemistry. 288(9):6754-6762

"Synthesis and biological activity of divalent ligands based on 3-deoxy-4-thiolactose, an isosteric analogue of lactose" (2013) Cagnoni, A.J.; Varela, O.; Kovensky, J.; Uhrig, M.L. Organic and Biomolecular Chemistry. 11(33):5500-5511

"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

"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

"Escherichia coli β-galactosidase inhibitors through modifications at the aglyconic moiety: Experimental evidence of conformational distortion in the molecular recognition process" (2013) Calle, L.;Roldós, V.;Cañada, F.J. (...)Jiménez-Barbero, J. Chemistry - A European Journal. 19(13):4262-4270

"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

"Biophysical Characterisation of Neuroglobin of the Icefish, a Natural Knockout for Hemoglobin and Myoglobin. Comparison with Human Neuroglobin" (2012) Giordano, D.;Boron, I.;Abbruzzetti, S. (...)Verde, C. PLoS ONE. 7(12)

"Structural, electrochemical characterization and SOD mimic activities of 1D chain or 3D network encouraged by unique μ 2 -bridging by adipate ion in mixed ligand complexes containing α-diimine as auxiliary ligand" (2012) Siddiqi, Z.A.;Sharma, P.K.;Shahid, M. (...)Siddique, A. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 93:280-289

"Following ligand migration pathways from picoseconds to milliseconds in type ii truncated hemoglobin from thermobifida fusca" (2012) Marcelli, A.;Abbruzzetti, S.;Bustamante, J.P. (...)Foggi, P. PLoS ONE. 7(7)

"The Caenorhabditis elegans DAF-12 nuclear receptor: Structure, dynamics, and interaction with ligands" (2012) Alvarez, L.D.; Mañez, P.A.; Estrin, D.A.; Burton, G. Proteins: Structure, Function and Bioinformatics. 80(7):1798-1809

"Role of PheE15 Gate in Ligand Entry and Nitric Oxide Detoxification Function of Mycobacterium tuberculosis Truncated Hemoglobin N" (2012) Oliveira, A.;Singh, S.;Bidon-Chanal, A. (...)Luque, F.J. PLoS ONE. 7(11)

"Chlorido(4,4′-dimeth-oxy-2,2′-bipyridine)(1,4,7-trimethyl-1,4, 7-triaza-cyclo-nona-ne)ruthenium(II) perchlorate acetonitrile disolvate and aqua-(4,4′-dimeth-oxy-2,2′-bipyridine)(1,4,7-trimethyl-1,4, 7-triaza-cyclo-nona-ne)ruthenium(II) bis-(per-chlorate) dihydrate" (2012) Vera, D.B.;Osa Codesido, N.;De Candia, A.G. (...)Slep, L.D. Acta Crystallographica Section C: Crystal Structure Communications. 68(5):m127-m130

"Influence of ligand structure and water interactions on the physical properties of β-cyclodextrins complexes" (2012) Dos Santos, C.; Buera, M.P.; Mazzobre, M.F. Food Chemistry. 132(4):2030-2036

"Phase solubility studies and stability of cholesterol/β-cyclodextrin inclusion complexes" (2011) dos Santos, C.; Buera, M.P.; Mazzobre, M.F. Journal of the Science of Food and Agriculture. 91(14):2551-2557

"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

"Ligand migration in the apolar tunnel of Cerebratulus lacteus mini-hemoglobin" (2011) Pesce, A.;Nardini, M.;Dewilde, S. (...)Olson, J.S. Journal of Biological Chemistry. 286(7):5347-5358

"Addition and redox reactivity of hydrogen sulfides (H2S/HS -) with nitroprusside: New chemistry of nitrososulfide ligands" (2011) Quiroga, S.L.;Almaraz, A.E.;Amorebieta, V.T. (...)Olabe, J.A. Chemistry - A European Journal. 17(15):4145-4156

"Biological activity and ligand binding mode to the progesterone receptor of A-homo analogues of progesterone" (2011) Alvarez, L.D.;Dansey, M.V.;Martí, M.A. (...)Burton, G. Bioorganic and Medicinal Chemistry. 19(5):1683-1691

"Differentiation of isomeric hydroxypyridine N-Oxides using metal complexation and electrospray ionization mass spectrometry" (2011) Butler, M.; Manez, P.A.; Cabrera, G.M. Journal of the American Society for Mass Spectrometry. 22(3):545-556

"Ligand migration in methanosarcina acetivorans protoglobin: Effects of ligand binding and dimeric assembly" (2011) Forti, F.;Boechi, L.;Bikiel, D. (...)Luque, F.J. Journal of Physical Chemistry B. 115(46):13771-13780

"Synthesis, characterization, and catalase activity of a water-soluble diMn III complex of a sulphonato-substituted schiff base ligand: An efficient catalyst for H 2O 2 disproportionation" (2011) Palopoli, C.;Bruzzo, N.;Hureau, C. (...)Signorella, S. Inorganic Chemistry. 50(18):8973-8983

"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

"An integrated computational analysis of the structure, dynamics, and ligand binding interactions of the human galectin network" (2011) Guardia, C.M.A.;Gauto, D.F.;Di Lella, S. (...)Estrin, D.A. Journal of Chemical Information and Modeling. 51(8):1918-1930

"Tetrachlorocarbonyliridates: Water-soluble carbon monoxide releasing molecules rate-modulated by the sixth ligand" (2011) Bikiel, D.E.;Solveyra, E.G.;Di Salvo, F. (...)Doctorovich, F. Inorganic Chemistry. 50(6):2334-2345

"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

"Protein dynamics and ligand migration interplay as studied by computer simulation" (2011) Arroyo-Mañez, P.;Bikiel, D.E.;Boechi, L. (...)Petruk, A.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1814(8):1054-1064

"Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins" (2011) Forti, F.; Boechi, L.; Estrin, D.A.; Marti, M.A. Journal of Computational Chemistry. 32(10):2219-2231

"Role of the distal hydrogen-bonding network in regulating oxygen affinity in the truncated hemoglobin III from campylobacter jejuni" (2011) Arroyo Mañez, P.;Lu, C.;Boechi, L. (...)Estrin, D.A. Biochemistry. 50(19):3946-3956

"Structure of the glucocorticoid receptor, a flexible protein that can adapt to different ligands" (2010) Veleiro, A.S.; Alvarez, L.D.; Eduardo, S.L.; Burton, G. ChemMedChem. 5(5):649-659

"The influence of organic ligands on the adsorption of cadmium by suspended matter in natural waters studied by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and electrochemical methods" (2010) Minaberry, Y.S.; Gordillo, G.J. Chemosphere. 78(11):1356-1361

"Linking the structure and thermal stability of β-galactoside-binding protein galectin-1 to ligand binding and dimerization equilibria" (2010) Di Lella, S.;Martí, M.A.;Croci, D.O. (...)Estrin, D.A. Biochemistry. 49(35):7652-7658

"Probing the chemotaxis periplasmic sensor domains from Geobacter sulfurreducens by combined resonance raman and molecular dynamic approaches: NO and CO sensing" (2010) Catarino, T.;Pessanha, M.;De Candia, A.G. (...)Salgueiro, C.A. Journal of Physical Chemistry B. 114(34):11251-11260

"Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate" (2010) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 66(11):m339-m342

"The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies" (2010) Capece, L.;Lewis-Ballester, A.;Batabyal, D. (...)Marti, M.A. Journal of Biological Inorganic Chemistry. 15(6):811-823

"Specific intermolecular interactions of conserved water molecules with amino acids in the Galectin-1 carbohydrate recognition domain" (2010) Di Lella, S.; Petruk, A.A.; De Armiño, D.J.A.; Álvarez, R.M.S. Journal of Molecular Structure. 978(1-3):220-228

"Acute modulation of calcium currents and synaptic transmission by gabapentinoids" (2010) Uchitel, O.D.; Di Guilmi, M.N.; Urbano, F.J.; Inchauspe, C.G. Channels. 4(6)

"Single crystal EPR study of the dinuclear Cu(II) complex [Cu(tda)(phen)]2·H2tda (tda = Thiodiacetate, phen = Phenanthroline): Influence of weak interdimeric magnetic interactions" (2010) Neuman, N.I.;Perec, M.;González, P.J. (...)Brondino, C.D. Journal of Physical Chemistry A. 114(50):13069-13075

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"Three lanthanide complexes derived from itaconic acid and 2,2'-bipyridine" (2009) Muñoz, J.C.; Atria, A.M.; Garland, M.T.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 65(3):m121-m127

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"Molecular basis for the electric field modulation of cytochrome c structure and function" (2009) De Biase, P.M.;Paggi, D.A.;Doctorovich, F. (...)Marti, M.A. Journal of the American Chemical Society. 131(44):16248-16256

"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

"Role of pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis" (2009) Lama, A.;Pawaria, S.;Bidon-Chanal, A. (...)Dikshit, K.L. Journal of Biological Chemistry. 284(21):14457-14468

"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

"Redox properties of ruthenium nitrosyl porphyrin complexes with different axial ligation: Structural, spectroelectrochemical (IR, UV-Visible, and EPR), and theoretical studies" (2008) Singh, P.;Das, A.K.;Sarkar, B. (...)Kaim, W. Inorganic Chemistry. 47(16):7106-7113

"Identification of an autoinhibitory mechanism that restricts C1 domain-mediated activation of the Rac-GAP α2-chimaerin" (2008) Colón-González, F.; Leskow, F.C.; Kazanietz, M.G. Journal of Biological Chemistry. 283(50):35247-35257

"The pathway for spontaneous occlusion of Rb+ in the Na +/K+-ATPase" (2008) González-Lebrero, R.M.; Kaufman, S.B.; Garrahan, P.J.; Rossi, R.C. Biochemistry. 47(22):6073-6080

"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

"Exploring the molecular basis of action of the passive antiglucocorticoid 21-hydroxy-6,19-epoxyprogesterone" (2008) Álvarez, L.D.;Martí, M.A.;Veleiro, A.S. (...)Burton, G. Journal of Medicinal Chemistry. 51(5):1352-1360

"The coordination chemistry of nitrosyl in cyanoferrates. An exhibit of bioinorganic relevant reactions" (2008) Olabe, J.A. Dalton Transactions(28):3633-3648

"Exploring the molecular basis of heme coordination in human neuroglobin" (2008) Nadra, A.D.;Martí, M.A.;Pesce, A. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 71(2):695-705

"Mechanism of product release in NO detoxification from Mycobacterium tuberculosis truncated hemoglobin N" (2008) Martí, M.A.;Bidon-Chanal, A.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 130(5):1688-1693

"A microscopic study of the deoxyhemoglobin-catalyzed generation of nitric oxide from nitrite anion" (2008) Perissinotti, L.L.;Marti, M.A.;Doctorovich, F. (...)Estrin, D.A. Biochemistry. 47(37):9793-9802

"Structural determinants of ligand migration in Mycobacterium tuberculosis truncated hemoglobin O" (2008) Boechi, L.;Martí, M.A.;Milani, M. (...)Estrin, D.A. Proteins: Structure, Function and Genetics. 73(2):372-379

"Synthesis, structure, and reactivity of aliphatic primary nitrosamines stabilized by coordination to [IrCI5]2-" (2008) Di Salvo, F.; Estrin, D.A.; Leitus, G.; Doctorovich, F. Organometallics. 27(9):1985-1995

"Photoinduced reactivity of strongly coupled TiO2 ligands under visible irradiation: An examination of an alizarin red@TiO2 nanoparticulate system" (2008) Di Iorio, Y.; Román, E.S.; Litter, M.I.; Grela, M.A. Journal of Physical Chemistry C. 112(42):16532-16538

"A spectroscopic study of the temperature induced modifications on ferredoxin folding and iron-sulfur moieties" (2007) Todorovic, S.;Leal, S.S.;Salgueiro, C.A. (...)Gomes, C.M. Biochemistry. 46(37):10733-10738

"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

"The met axial ligand determines the redox potential in CuA sites" (2007) Ledesma, G.N.;Murgida, D.H.;Hoang, K.L. (...)Vila, A.J. Journal of the American Chemical Society. 129(39):11884-11885

"Differential recruitment of tetratricorpeptide repeat domain immunophilins to the mineralocorticoid receptor influences both heat-shock protein 90-dependent retrotransport and hormone-dependent transcriptional activity" (2007) Gallo, L.I.; Ghini, A.A.; Pilipuk, G.P.; Galigniana, M.D. Biochemistry. 46(49):14044-14057

"Heme protein oxygen affinity regulation exerted by proximal effects" (2006) Capece, L.;Marti, M.A.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 128(38):12455-12461

"New aspects in the diagnosis and treatment of cushing disease" (2006) Labeur, M.;Theodoropoulou, M.;Sievers, C. (...)Stalla, G.K. Frontiers of Hormone Research. 35:169-178

"Localization of vascular endothelial growth factor (VEGF) receptors in normal and adenomatous pituitaries: Detection of a non-endothelial function of VEGF in pituitary tumours" (2006) Onofri, C.;Theodoropoulou, M.;Losa, M. (...)Renner, U. Journal of Endocrinology. 191(1):249-261

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"Dioxygen affinity in heme proteins investigated by computer simulation" (2006) Marti, M.A.;Crespo, A.;Capece, L. (...)Estrin, D.A. Journal of Inorganic Biochemistry. 100(4):761-770

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"Formation of coordinated nitrosamines by reaction of K[IrCl5NO] with primary amines" (2005) Doctorovich, F.;Di Salvo, F.;Escola, N. (...)Shimon, L. Organometallics. 24(20):4707-4709

"Nitric oxide interaction with cytochrome c′ and its relevance to guanylate cyclase. Why does the iron histidine bond break?" (2005) Martí, M.A.;Capece, L.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 127(21):7721-7728

"The unexpected effects of added ligands on the addition of phenyllithium to E-cinnamaldehyde in THF" (2005) Vázquez, A.J.; Nudelman, N.S. Arkivoc. 2005(12):332-340

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"4,4′-Bis(N,N-diethylamino)-2,2′-bi-pyridine" (2004) Alborés, P.; Baraldo, L.M.; Ibañez, A.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 60(12):o850-o852

"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

"Thermal stability of mixed-valent diruthenium (II,III) carboxylates" (2003) Rusjan, M.; Sileo, E.E.; Cukiernik, F.D. Solid State Ionics. 159(3-4):389-396

"A complex containing three different kinds of Ru-N bonds: Ethoxydinitro-nitrosyl(N, N, N′, N′-tetramethylethylenediamine-κ 2N, N′)ruthenium(II)" (2002) Albores, P.;Chaia, Z.D.;Baraldo, L. (...)Piro, O.E. Acta Crystallographica Section C: Crystal Structure Communications. 58(4):m235-m236

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