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Author Details

Pablo Gamallo
2005
39
10
PMIDPaper TitleJournal TitlePublished Year
37029122Safe drugs with high potential to block malaria transmission revealed by a spleen-mimetic screening.Nat Commun2023
37565760Novel inhibitors that target bacterial virulence identified via HTS against intra-macrophage survival of <i>Shigella flexneri</i>.mSphere2023
35630999Effect of Nanoparticles on the Thermal Stability and Reaction Kinetics in Ionic Nanofluids.Nanomaterials2022
35507672The small-molecule SMARt751 reverses <i>Mycobacterium tuberculosis</i> resistance to ethionamide in acute and chronic mouse models of tuberculosis.Sci Transl Med2022
34761926Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride.Journal of Physical Chemistry Letters2021
34270544Rate-of-Kill (RoK) assays to triage large compound sets for Chagas disease drug discovery: Application to GSK Chagas Box.PLoS Neglected Tropical Diseases2021
34319740Quantum Dynamics of Nonadiabatic Renner-Teller Effects in Atom + Diatom Collisions.Journal of Physical Chemistry A2021
33649368Understanding the abnormal thermal behavior of nanofluids through infrared thermography and thermo-physical characterization.Scientific Reports2021
32685952Non-adiabatic quantum dynamics of the electronic quenching OH(AΣ) + Kr.Physical Chemistry Chemical Physics2020
29799867A lexicon based method to search for extreme opinions.PLoS ONE2018
30224530Gametocytes from K13 Propeller Mutant Plasmodium falciparum Clinical Isolates Demonstrate Reduced Susceptibility to Dihydroartemisinin in the Male Gamete Exflagellation Inhibition Assay.Antimicrobial Agents and Chemotherapy2018
28102392Dynamics of the O + H â¿¿ OH + H, OH + H proton and hydrogen atom transfer reactions on the two lowest potential energy surfaces.Physical Chemistry Chemical Physics2017
28120967Nonadiabatic Renner-Teller quantum dynamics of OH(XΠ) + H reactive collisions.Physical Chemistry Chemical Physics2017
27667448Extraction and analysis of signatures from the Gene Expression Omnibus by the crowd.Nat Commun2016
26727174Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case example.Physical Chemistry Chemical Physics2016
26289380Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.Physical Chemistry Chemical Physics2015
26522748Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.Journal of Physical Chemistry A2015
24738984Quantum dynamics of the reaction H((2)S) + HeH(+)(X(1)Σ(+)) ⿿ H2(+)(X(2)Σg(+)) + He((1)S) from cold to hyperthermal energies: time-dependent wavepacket study and comparison with time-independent calculations.Journal of Physical Chemistry A2014
24633769ReaxFF molecular dynamics simulations of CO collisions on an O-preadsorbed silica surface.Journal of Molecular Modeling2014
24577045Understanding the effect of vibrational excitation in reaction dynamics: the Ne + H2(+)(v = 0-17, j = 1) â¿¿ NeH(+) + H, Ne + H(+) + H proton transfer and dissociation cross sections.Physical Chemistry Chemical Physics2014
25127319Potential energy surfaces and quasiclassical trajectory study of the O + H2(+)â¿¿ OH(+) + H, OH + H(+) proton and hydrogen atom transfer reactions and isotopic variants (D2(+), HD(+)).Physical Chemistry Chemical Physics2014
23746307Resonances in the Ne + H2(+) â¿¿ NeH(+) + H proton-transfer reaction.Journal of Physical Chemistry A2013
24028113Conical-intersection quantum dynamics of OH(A2Σ+) + H(2S) collisions.Journal of Chemical Physics2013
23131012Theoretical study of the dynamics and kinetics of the O + CS â¿¿ CO + S chemical laser reaction, where CO shows a very high vibrational excitation.Journal of Physical Chemistry A2012
22320743Nonadiabatic dynamics of O(1D) + N2(X1Σg+) ⿿ O(3P) + N2(X1Σg+) on three coupled potential surfaces: symmetry, Coriolis, spin-orbit, and Renner-Teller effects.Journal of Chemical Physics2012
22817398Adiabatic quantum dynamics of CH(X2Π) + H(2S) reactions on the CH2(X̿3A⿳) surface and role of the excited electronic states.Journal of Physical Chemistry A2012
21899272Time dependent quantum dynamics study of the Ne + H2(+)(v0 = 0-4, j0 = 1) â¿¿ NeH(+) + H proton transfer reaction, including the Coriolis coupling. A system with oscillatory cross sections.Journal of Physical Chemistry A2011
21399818Quantum dynamics of Renner-Teller and isotopic effects in NH(a1ο) + D(2S) reactions.Physical Chemistry Chemical Physics2011
21947278Recombination and chemical energy accommodation coefficients from chemical dynamics simulations: O/O2 mixtures reacting over a β-cristobalite (001) surface.Physical Chemistry Chemical Physics2011
20232959Quantum dynamics of the C(1D)+HD and C(1D)+n-D2 reactions on the ã 1A' and b 1A" surfaces.Journal of Chemical Physics2010
20450162Renner-Teller quantum dynamics of NH(a(1)Delta) + H reactions on the NH(2) A(2)A(1) and X(2)B(1) coupled surfaces.Journal of Physical Chemistry A2010
20405993Quasiclassical dynamics and kinetics of the N+NO-->N(2)+O, NO+N atmospheric reactions.Journal of Chemical Physics2010
19655880Born-Oppenheimer and Renner-Teller coupled-channel quantum dynamics of the N(2D) + HD reactions.Journal of Chemical Physics2009
19123507Renner-Teller coupled-channel dynamics of the N(2D)+H2 reaction and the role of the NH2 A2A1 electronic state.Journal of Chemical Physics2008
19045347Quantum dynamics of NH(a(1)Delta)+H reactions on the NH(2) A (2)A(1) surface.Journal of Chemical Physics2008
17878987A density functional theory study of atomic oxygen and nitrogen adsorption over alpha-alumina (0001).Physical Chemistry Chemical Physics2007
16689567Quantum real wave-packet dynamics of the N(4S)+NO(X2Pi)-->N2(X1Sigma(g)+)+O(3P) reaction on the ground and first excited triplet potential energy surfaces: rate constants, cross sections, and product distributions.Journal of Chemical Physics2006
16852894Adsorption of atomic oxygen and nitrogen at beta-cristobalite (100): a density functional theory study.Journal of Physical Chemistry B2005
15974734Product distributions, rate constants, and mechanisms of LiH+H reactions.Journal of Chemical Physics2005
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