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Molecular dynamics
50
"Heteromerization of PIP aquaporins affects their intrinsic permeability" (2014) Yaneff, A.;Sigaut, L.;Marquez, M. (...)Amodeo, G. Proceedings of the National Academy of Sciences of the United States of America. 111(1):231-236
"A quantum molecular dynamics study of aqueous solvation dynamics" (2013) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 139(16)
"Anticoagulant activity of a unique sulfated pyranosic (1→3)-β-L- arabinan through direct interaction with thrombin" (2013) Fernández, P.V.;Quintana, I.;Cerezo, A.S. (...)Ciancia, M. Journal of Biological Chemistry. 288(1):223-233
"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
"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
"Loop A Is Critical for the Functional Interaction of Two Beta vulgaris PIP Aquaporins" (2013) Jozefkowicz, C.;Rosi, P.;Sigaut, L. (...)Alleva, K. PLoS ONE. 8(3)
"Nuclear quantum effects on the structure and the dynamics of [H 2O]8 at low temperatures" (2013) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 139(17)
"Excess protons in water-acetone mixtures" (2012) Semino, R.; Laria, D. Journal of Chemical Physics. 136(19)
"BUHO: A MATLAB Script for the Study of Stress Granules and Processing Bodies by High-Throughput Image Analysis" (2012) Perez-Pepe, M.;Slomiansky, V.;Loschi, M. (...)Boccaccio, G.L. PLoS ONE. 7(12)
"Excess protons in mesoscopic water-acetone nanoclusters" (2012) Semino, R.; Martí, J.; Guàrdia, E.; Laria, D. Journal of Chemical Physics. 137(19)
"Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei" (2012) Aucar, I.A.; Gómez, S.S.; De Azúa, M.C.R.; Giribet, C.G. Journal of Chemical Physics. 136(20)
"Anomalies in supercooled NaCl aqueous solutions: A microscopic perspective" (2011) Longinotti, M.P.; Carignano, M.A.; Szleifer, I.; Corti, H.R. Journal of Chemical Physics. 134(24)
"Anomalies in supercooled NaCl aqueous solutions: A microscopic perspective" (2011) Longinotti, M.P.; Carignano, M.A.; Szleifer, I.; Corti, H.R. Journal of Chemical Physics. 134(24)
"Confocal fluorescence anisotropy and FRAP imaging of α-synuclein amyloid aggregates in living cells" (2011) Roberti, M.J.; Jovin, T.M.; Jares-Erijman, E. PLoS ONE. 6(8)
"Reconsolidation or extinction: Transcription factor switch in the determination of memory course after retrieval" (2011) de la Fuente, V.; Freudenthal, R.; Romano, A. Journal of Neuroscience. 31(15):5562-5573
"Mechanical properties of organelles driven by microtubule-dependent molecular motors in living cells" (2011) Bruno, L.;Salierno, M.;Wetzler, D.E. (...)Levi, V. PLoS ONE. 6(4)
"Structure and dynamics of liquid methanol confined within functionalized silica nanopores" (2010) Elola, M.D.; Rodriguez, J.; Laria, D. Journal of Chemical Physics. 133(15)
"Water filling of hydrophilic nanopores" (2010) De La Llave, E.; Molinero, V.; Scherlis, D.A. Journal of Chemical Physics. 133(3)
"Insights on glucocorticoid receptor activity modulation through the binding of rigid steroids" (2010) Presman, D.M.;Alvarez, L.D.;Levi, V. (...)Pecci, A. PLoS ONE. 5(10)
"Dynein and kinesin regulate stress-granule and P-body dynamics" (2009) Loschi, M.; Leishman, C.C.; Berardone, N.; Boccacio, G.L. Journal of Cell Science. 122(21):3973-3982
"First-principles molecular dynamics simulations at solid-liquid interfaces with a continuum solvent" (2009) Sánchez, V.M.; Sued, M.; Scherlis, D.A. Journal of Chemical Physics. 131(17)
"Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties" (2008) Pomata, M.H.H.; Laria, D.; Skaf, M.S.; Elola, M.D. Journal of Chemical Physics. 129(24)
"Computer simulations of catanionic surfactants adsorbed at air/water interfaces. II. Full coverage" (2007) Clavero, E.; Rodriguez, J.; Laria, D. Journal of Chemical Physics. 127(12)
"Short-range and long-range solvent effects on charge-transfer-to-solvent transitions of I- and K+ I- contact ion pair dissolved in supercritical ammonia" (2007) Sciaini, G.; Fernández-Prini, R.; Estrin, D.A.; Marceca, E. Journal of Chemical Physics. 126(17)
"Formal relations connecting different approaches to calculate relativistic effects on molecular magnetic properties" (2006) Zaccari, D.G.; De Azúa, M.C.R.; Melo, J.I.; Giribet, C.G. Journal of Chemical Physics. 124(5)
"Mean field linear response within the elimination of the small component formalism to evaluate relativistic effects on magnetic properties" (2006) Roura, P.G.; Melo, J.I.; De Ruiz Azúa, M.C.; Giribet, C.G. Journal of Chemical Physics. 125(6)
"Classical molecular-dynamics simulation of the hydroxyl radical in water" (2005) Campo, M.G.; Grigera, J.R. Journal of Chemical Physics. 123(8)
"Energy decompositions according to physical space partitioning schemes" (2005) Alcoba, D.R.; Torre, A.; Lain, L.; Bochicchio, R.C. Journal of Chemical Physics. 122(7)
"Electron-density topology in molecular systems: Paired and unpaired densities" (2005) Lobayan, R.M.; Bochicchio, R.C.; Lain, L.; Torre, A. Journal of Chemical Physics. 123(14)
"A study of the partitioning of the first-order reduced density matrix according to the theory of atoms in molecules" (2005) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Chemical Physics. 123(14)
"Calculation of the fourth-rank molecular hypermagnetizability of some small molecules" (2004) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Physics. 120(20):9556-9560
"NMR and molecular dynamics studies of the interaction of melatonin with calmodulin" (2004) Turjanski, A.G.;Estrin, D.A.;Rosenstein, R.E. (...)Martorana, V. Protein Science. 13(11):2925-2938
"NMR and molecular dynamics studies of the interaction of melatonin with calmodulin" (2004) Turjanski, A.G.;Estrin, D.A.;Rosenstein, R.E. (...)Martorana, V. Protein Science. 13(11):2925-2938
"NMR of α-synuclein-polyamine complexes elucidates the mechanism and kinetics of induced aggregation" (2004) Fernández, C.O.;Hoyer, W.;Zweckstetter, M. (...)Jovin, T.M. EMBO Journal. 23(10):2039-2046
"Solvatipn of excess electrons in supercritical ammonia" (2003) Rodriguez, J.; Skaf, M.S.; Laria, D. Journal of Chemical Physics. 119(12):6044-6052
"Solvation dynamics following electron photodetachment from l- in aqueous clusters" (2002) Elola, M.D.; Laria, D. Journal of Chemical Physics. 117(5):2238-2245
"On the resolution of the optical rotatory power of chiral molecules into atomic terms. A study of hydrogen peroxide" (2002) Ligabue, A.; Lazzeretti, P.; Béccar Varela, M.P.; Ferraro, M.B. Journal of Chemical Physics. 116(15):6427-6434
"Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms" (2001) Zitto, M.E.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Physics. 114(9):4053-4057
"Polisaccharides from cystocarpic plants of the red seaweed Callophyllis variegata" (2000) Merino, E.R.; Cerezo, A.S.; Matulewicz, M.C. Molecules. 5(3):551-552
"Isomerization, melting, and polarity of model water clusters: (H2O)6 and (H2O)8" (1999) Rodriguez, J. Journal of Chemical Physics. 110(18):9039-9047
"LATINO: A semi-classical model to study nuclear fragmentation" (1999) Barrañón, A.;Chernomoretz, A.;Dorso, C.O. (...)Morales, J. Revista Mexicana de Fisica. 45(SUPPL 2):110-115