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Binding energy
53
"Relativistic atomic structure calculations of heavy targets for inelastic collisions" (2019) Mendez, A.M.P.; Montanari, C.C.; Mitnik, D.M. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
"Studies of 4-arylthiazolylhydrazones derived from 1-indanones as Trypanosoma cruzi squalene epoxidase inhibitors by molecular simulations" (2018) Noguera, G.J.; Fabian, L.E.; Lombardo, E.; Finkielsztein, L.M. Organic and Biomolecular Chemistry. 16(44):8525-8536
"Short linear motif core and flanking regions modulate retinoblastoma protein binding affinity and specificity" (2018) Palopoli, N.; Foutel, N.S.G.; Gibson, T.J.; Chemes, L.B. Protein Engineering, Design and Selection. 31(3):69-77
"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
"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
"Multifunctional Cytochrome c: Learning New Tricks from an Old Dog" (2017) Alvarez-Paggi, D.;Hannibal, L.;Castro, M.A. (...)Murgida, D.H. Chemical Reviews. 117(21):13382-13460
"The stellar metallicity gradients in galaxy discs in a cosmological scenario" (2016) Tissera, P.B.;Machado, R.E.G.;Sanchez-Blazquez, P. (...)Vilchez, J. Astronomy and Astrophysics. 592
"Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications" (2016) Álvarez, L.;Lewis-Ballester, A.;Roitberg, A. (...)Capece, L. Biochemistry. 55(19):2785-2793
"Structured and Unstructured Binding of an Intrinsically Disordered Protein as Revealed by Atomistic Simulations" (2016) Ithuralde, R.E.; Roitberg, A.E.; Turjanski, A.G. Journal of the American Chemical Society. 138(28):8742-8751
"Active Site Structure and Peroxidase Activity of Oxidatively Modified Cytochrome c Species in Complexes with Cardiolipin" (2015) Capdevila, D.A.;Oviedo Rouco, S.;Tomasina, F. (...)Murgida, D.H. Biochemistry. 54(51):7491-7504
"Energy threshold in multiple ionization by electron or positron impact" (2015) Montanari, C.C.; Miraglia, J.E. Journal of Physics: Conference Series. 583
"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
"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
"Mechanisms of DNA damage by photoexcited 9-methyl-β-carbolines" (2013) Vignoni, M.;Rasse-Suriani, F.A.O.;Butzbach, K. (...)Cabrerizo, F.M. Organic and Biomolecular Chemistry. 11(32):5300-5309
"Photosensitization of DNA by β-carbolines: Kinetic analysis and photoproduct characterization" (2012) Gonzalez, M.M.;Vignoni, M.;Pellon-Maison, M. (...)Cabrerizo, F.M. Organic and Biomolecular Chemistry. 10(9):1807-1819
"L and M-shell ionization of very heavy targets" (2012) Montanari, C.C.; Mitnik, D.M.; Miraglia, J.E. 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011. 388(PART 8)
"A collective model for inner shell ionization of very heavy targets" (2011) Montanari, C.C.; Mitnik, D.M.; Miraglia, J.E. Radiation Effects and Defects in Solids. 166(5):338-345
"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
"P38γ activation triggers dynamical changes in allosteric docking sites" (2011) Rodriguez Limardo, R.G.;Ferreiro, D.N.;Roitberg, A.E. (...)Turjanski, A.G. Biochemistry. 50(8):1384-1395
"Sulfide binding properties of truncated hemoglobins" (2010) Nicoletti, F.P.;Comandini, A.;Bonamore, A. (...)Boffi, A. Biochemistry. 49(10):2269-2278
"Role of heme distortion on oxygen affinity in heme proteins: The protoglobin case" (2010) Bikiel, D.E.;Forti, F.;Boechi, L. (...)Estrin, D.A. Journal of Physical Chemistry B. 114(25):8536-8543
"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
"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
"Molecular basis of coupled protein and electron transfer dynamics of cytochrome c in biomimetic complexes" (2010) Alvarez-Paggi, D.;Martín, D.F.;Debiase, P.M. (...)Murgida, D.H. Journal of the American Chemical Society. 132(16):5769-5778
"Application of a constrained regularization method to extraction of affinity distributions: Proton and metal binding to humic substances" (2009) Orsetti, S.; Andrade, E.M.; Molina, F.V. Journal of Colloid and Interface Science. 336(2):377-387
"Theoretical prediction of atomic and electronic structure of neutral Si6 Om (m=1-11) clusters" (2009) Caputo, M.C.; Oña, O.; Ferraro, M.B. Journal of Chemical Physics. 130(13)
"Quaternary benzyltriethylammonium ion binding to the Na,K-ATPase: A tool to investigate extracellular K+ binding reactions" (2009) Peluffo, R.D.;González-Lebrero, R.M.;Kaufman, S.B. (...)Berlin, J.R. Biochemistry. 48(34):8105-8119
"Energy loss of protons in W using fully relativistic calculations and mean excitation energies of W, Au, Pb, and Bi" (2009) Montanari, C.C.; Mitnik, D.M.; Archubi, C.D.; Miraglia, J.E. Physical Review A - Atomic, Molecular, and Optical Physics. 80(1)
"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
"Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy" (2009) Gauto, D.F.;Di Lella, S.;Guardia, C.M.A. (...)Martí, M.A. Journal of Physical Chemistry B. 113(25):8717-8724
"Energy loss of protons in Au, Pb, and Bi using relativistic wave functions" (2009) Montanari, C.C.; Archubi, C.D.; Mitnik, D.M.; Miraglia, J.E. Physical Review A - Atomic, Molecular, and Optical Physics. 79(3)
"The catalytic domain of insulin-degrading enzyme forms a denaturant-resistant complex with amyloid β peptide: Implications for Alzheimer disease pathogenesis" (2008) Llovera, R.E.;De Tullio, M.;Alonso, L.G. (...)Castaño, E.M. Journal of Biological Chemistry. 283(25):17039-17048
"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
"Identification of the cellular targets of the transcription factor TCERG1 reveals a prevalent role in mrna processing" (2008) Pearson, J.L.;Robinson, T.J.;Muñoz, M.J. (...)Garcia-Blanco, M.A. Journal of Biological Chemistry. 283(12):7949-7961
"DFT study on the reactivity of iron porphyrins tuned by ring substitution" (2008) Bikiel, D.E.; Bari, S.E.; Doctorovich, F.; Estrin, D.A. Journal of Inorganic Biochemistry. 102(1):70-76
"Composition and functional properties of enriched fiber products obtained from pumpkin (Cucurbita moschata Duchesne ex Poiret)" (2007) de Escalada Pla, M.F.;Ponce, N.M.;Stortz, C.A. (...)Rojas, A.M. LWT - Food Science and Technology. 40(7):1176-1185
"ci21A/Asr1 expression influences glucose accumulation in potato tubers" (2007) Frankel, N.;Nunes-Nesi, A.;Balbo, I. (...)Carrari, F. Plant Molecular Biology. 63(5):719-730
"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
"Angular dependence of electron emission induced by grazing-ion-surface collisions" (2004) Gravielle, M.S.;Miraglia, J.E.;Otero, G.G. (...)Grizzi, O. Physical Review A - Atomic, Molecular, and Optical Physics. 69(4):042902-1-042902-9
"Bound state of dimers on a spherical surface" (2004) Kostov, M.K.; Hernandez, E.S.; Cole, M.W. Journal of Low Temperature Physics. 134(1-2):321-326
"Evidence for glucocorticoid receptor transport on microtubules by dynein" (2004) Harrell, J.M.;Murphy, P.J.M.;Morishima, Y. (...)Pratt, W.B. Journal of Biological Chemistry. 279(52):54647-54654
"Abrupt rise of the longitudinal recoil ion momentum distribution for ionizing collisions" (2001) Weber, Th.;Khayyat, Kh.;Dörner, R. (...)Schmidt-Böcking, H. Physical Review Letters. 86(2):224-227
"Thomas mechanism in electron capture to the continuum" (2000) Rodríguez, V.D.; Barrachina, R.O. Physical Review A - Atomic, Molecular, and Optical Physics. 62(6):062716-062711
"Suppression of projectile-electron excitations in collisions with a free-electron gas of metals" (2000) Montanari, C.C.; Miraglia, J.E.; Arista, N.R. Physical Review A - Atomic, Molecular, and Optical Physics. 62(5):052902-052901
"Adsorption and photooxidation of salicylic acid on titanium dioxide: A surface complexation description" (1998) Regazzoni, A.E.;Mandelbaum, P.;Matsuyoshi, M. (...)Blesa, M.A. Langmuir. 14(4):868-874
"Dynamic Interaction of Impurity Atmospheres with Moving Dislocations During Stress Relaxation" (1995) Rubiolo, G.H.; Bozzano, P.B. Materials Transactions, JIM. 36(9):1124-1133
"On the nature of crystalline bonding: Extension of statistical population analysis to two- and three-dimensional crystalline systems" (1993) Bochicchio, R.C.; Reale, H.F. Journal of Physics B: Atomic, Molecular and Optical Physics. 26(24):4871-4883