Publications by authors named "Pablo Gamallo"

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Population Pharmacokinetic and Pharmacodynamic Modelling and Simulation for Nedosiran Clinical Development and Dose Guidance in Pediatric Patients with Primary Hyperoxaluria Type 1.
Steven Zhang, Pablo Gamallo, Verity Rawson

Clin Pharmacokinet· September 2025

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The Importance of Solvent Adsorption in Liquid-Phase Reaction Kinetics: Nitrobenzene Hydrogenation in Pd (111) as a Case Study.
Javiera Herrera, Pablo Gamallo, Cristian H Campos, Gerard Alonso

Chemphyschem· July 2025

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Exploring quantum tunneling in heavy atom reactions using a rigorous theoretical approach to the dynamics: formation of NO + O from the N + O atmospheric reaction.
Fabrizio Esposito, Pablo Gamallo, Miguel González, Carlo Petrongolo

Phys Chem Chem Phys· July 2025

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Selective O/N Separation Using Grazyne Membranes: A Computational Approach Combining Density Functional Theory and Molecular Dynamics.
Adrià Calzada, Francesc Viñes, Pablo Gamallo

Nanomaterials (Basel)· December 2024

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CO Hydrogenation on Ru Single-Atom Catalyst Encapsulated in Silicalite: a DFT and Microkinetic Modeling Study.
Manuel A Cánovas, Alejandro Gracia, Ramón Sayós, Pablo Gamallo

J Phys Chem C Nanomater Interfaces· October 2024

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On the CO Harvesting from N Using Grazyne Membranes.
Adrià Calzada, Francesc Viñes, Pablo Gamallo

ChemSusChem· August 2024

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Comprehensive Density Functional and Kinetic Monte Carlo Study of CO Hydrogenation on a Well-Defined Ni/CeO Model Catalyst: Role of Eley-Rideal Reactions.
Pablo Lozano-Reis, Pablo Gamallo, Ramón Sayós, Francesc Illas

ACS Catal· February 2024

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Novel inhibitors that target bacterial virulence identified via HTS against intra-macrophage survival of .
Marija Miljkovic, Sonia Lozano, Isabel Castellote, Cristina de Cózar, Ana I Villegas-Moreno, Pablo Gamallo

mSphere· October 2023

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Safe drugs with high potential to block malaria transmission revealed by a spleen-mimetic screening.
Mario Carucci, Julien Duez, Joel Tarning, Irene García-Barbazán, Aurélie Fricot-Monsinjon, Pablo Gamallo

Nat Commun· April 2023

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The small-molecule SMARt751 reverses resistance to ethionamide in acute and chronic mouse models of tuberculosis.
Marion Flipo, Rosangela Frita, Marilyne Bourotte, María S Martínez-Martínez, Markus Boesche, Pablo Gamallo

Sci Transl Med· May 2022

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Effect of Nanoparticles on the Thermal Stability and Reaction Kinetics in Ionic Nanofluids.
Adela Svobodova-Sedlackova, Sergio Huete-Hernández, Alejandro Calderón, Camila Barreneche, Pablo Gamallo

Nanomaterials (Basel)· May 2022

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Acetylene-Mediated Electron Transport in Nanostructured Graphene and Hexagonal Boron Nitride.
Isaac Alcón, Nick Papior, Gaetano Calogero, Francesc Viñes, Pablo Gamallo

J Phys Chem Lett· November 2021

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Quantum Dynamics of Nonadiabatic Renner-Teller Effects in Atom + Diatom Collisions.
Pablo Gamallo, Miguel González, Carlo Petrongolo

J Phys Chem A· August 2021

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Rate-of-Kill (RoK) assays to triage large compound sets for Chagas disease drug discovery: Application to GSK Chagas Box.
Juan Cantizani, Pablo Gamallo, Ignacio Cotillo, Raquel Alvarez-Velilla, Julio Martin

PLoS Negl Trop Dis· July 2021

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Understanding the abnormal thermal behavior of nanofluids through infrared thermography and thermo-physical characterization.
Adela Svobodova-Sedlackova, Alejandro Calderón, Camila Barreneche, Pablo Gamallo, A Inés Fernández

Sci Rep· March 2021

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Non-adiabatic quantum dynamics of the electronic quenching OH(AΣ) + Kr.
Pablo Gamallo, Alexandre Zanchet, F Javier Aoiz, Carlo Petrongolo

Phys Chem Chem Phys· August 2020

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A lexicon based method to search for extreme opinions.
Sattam Almatarneh, Pablo Gamallo

PLoS One· December 2018

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Gametocytes from K13 Propeller Mutant Plasmodium falciparum Clinical Isolates Demonstrate Reduced Susceptibility to Dihydroartemisinin in the Male Gamete Exflagellation Inhibition Assay.
Sonia Lozano, Pablo Gamallo, Carolina González-Cortés, Jesús-Luís Presa Matilla, Rick M Fairhurst

Antimicrob Agents Chemother· December 2018

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Dynamics of the O + H → OH + H, OH + H proton and hydrogen atom transfer reactions on the two lowest potential energy surfaces.
Rodrigo Martínez, Miguel Paniagua, Jordi Mayneris-Perxachs, Pablo Gamallo, Miguel González

Phys Chem Chem Phys· February 2017

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Nonadiabatic Renner-Teller quantum dynamics of OH(XΠ) + H reactive collisions.
Pablo Gamallo, Sinan Akpinar, Paolo Defazio, Carlo Petrongolo

Phys Chem Chem Phys· February 2017

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Extraction and analysis of signatures from the Gene Expression Omnibus by the crowd.
Zichen Wang, Caroline D Monteiro, Kathleen M Jagodnik, Nicolas F Fernandez, Gregory W Gundersen, Pablo Gamallo

Nat Commun· September 2016

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Unexpectedly 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.
Hèctor Prats, Pablo Gamallo, Ramón Sayós, Francesc Illas

Phys Chem Chem Phys· January 2016

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Born-Oppenheimer and Renner-Teller Quantum Dynamics of CH(X(2)Π) + D((2)S) Reactions on Three CHD Potential Surfaces.
Pablo Gamallo, Sinan Akpinar, Paolo Defazio, Carlo Petrongolo

J Phys Chem A· November 2015

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Born-Oppenheimer and Renner-Teller coupled-channel quantum reaction dynamics of O((3)P) + H2(+)(X(2)Σg(+)) collisions.
Pablo Gamallo, Paolo Defazio, Miguel González, Miguel Paniagua, Carlo Petrongolo

Phys Chem Chem Phys· September 2015

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Potential energy surfaces and quasiclassical trajectory study of the O + H2(+)→ OH(+) + H, OH + H(+) proton and hydrogen atom transfer reactions and isotopic variants (D2(+), HD(+)).
Miguel Paniagua, Rodrigo Martínez, Pablo Gamallo, Miguel González

Phys Chem Chem Phys· November 2014

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