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PySAGES: flexible, advanced sampling methods accelerated with GPUs

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Development of new 1, 3-dihydroxyacridone derivatives as Akt pathway inhibitors in skeletal muscle cells

BIOORGANIC CHEMISTRY; Año: 2023 vol. 130

MANAFIRAD, ARASH; MENENDEZ, CINTIA A.; PEREZ-LEMUS, GUSTAVO R.; THAYUMANAVAN, S.; DE PABLO, JUAN J.; DINSMORE, ANTHONY D.

Structural and Mechanical Response of Two-Component Photoswitchable Lipid Bilayer Vesicles

LANGMUIR; Lugar: Washington; Año: 2023

MENÉNDEZ, C.A.; VERDE, A.R.; ALARCÓN, L.M.; ACCORDINO, S.R.; APPIGNANESI, G.A.

Influence of docosahexaenoic acid on the interfacial behavior of cholesterol-containing lipid membranes: Interactions with small amphiphiles and hydration properties

BIOPHYSICAL CHEMISTRY; Año: 2023 vol. 301

MENENDEZ, CINTIA A.; MOHAMED, ADIL; PEREZ-LEMUS, GUSTAVO R.; WEISS, ADAM M.; RAWE, BENJAMIN W.; LIU, GUANCEN; CROLAIS, ALEX E.; KENNA, EMMA; BYLÉHN, FABIAN; ALVARADO, WALTER; MENDELS, DAN; ROWAN, STUART J.; TAY, SAVA?; DE PABLO, JUAN J.

Development of Masitinib Derivatives with Enhanced Mpro Ligand Efficiency and Reduced Cytotoxicity

MOLECULES; Año: 2023 vol. 28

PEREZ-LEMUS, GUSTAVO R.; MENÉNDEZ, CINTIA A.; ALVARADO, WALTER; BYLÉHN, FABIAN; DE PABLO, JUAN J.

Toward wide-spectrum antivirals against coronaviruses: Molecular characterization of SARS-CoV-2 NSP13 helicase inhibitors

Science Advances; Año: 2022 vol. 8

MENÉNDEZ, CINTIA A.; VERDE, ALEJANDRO R.; ALARCÓN, LAUREANO M.; APPIGNANESI, GUSTAVO A.

Biophysical interactions of phenolic acids from yerba mate tea with lipid membranes

BIOPHYSICAL CHEMISTRY; Año: 2022 vol. 291

CORTI, HORACIO R.; APPIGNANESI, GUSTAVO A.; BARBOSA, MARCIA C.; BORDIN, J. RAFAEL; CALERO, CARLES; CAMISASCA, GAIA; ELOLA, M. DOLORES; FRANZESE, GIANCARLO; GALLO, PAOLA; HASSANALI, ALI; HUANG, KAI; LARIA, DANIEL; MENÉNDEZ, CINTIA A.; DE OCA, JOAN M. MONTES; LONGINOTTI, M. PAULA; RODRIGUEZ, JAVIER; ROVERE, MAURO; SCHERLIS, DAMIÁN; SZLEIFER, IGAL

Structure and dynamics of nanoconfined water and aqueous solutions

European Physical Journal E; Año: 2021 vol. 44

BYLÉHN, FABIAN; MENÉNDEZ, CINTIA A.; PEREZ-LEMUS, GUSTAVO R.; ALVARADO, WALTER; DE PABLO, JUAN J.

Modeling the Binding Mechanism of Remdesivir, Favilavir, and Ribavirin to SARS-CoV-2 RNA-Dependent RNA Polymerase

ACS Central Science; Año: 2021 vol. 7 p. 164 - 174

ALVARADO, WALTER; PEREZ-LEMUS, GUSTAVO R.; MENENDEZ CINTIA ANABELLA; BYLÉHN, FABIAN; DE PABLO, JUAN J.

Molecular characterization of COVID-19 therapeutics: Luteolin as an allosteric modulator of the spike protein of SARS-CoV-2

Molecular Systems Design and Engineering; Año: 2021

MENÉNDEZ, CINTIA A.; BYLÉHN, FABIAN; PEREZ-LEMUS, GUSTAVO R.; ALVARADO, WALTER; DE PABLO, JUAN J.

Molecular characterization of ebselen binding activity to SARS-CoV-2 main protease

Science Advances; Año: 2020 vol. 6

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Theoretical models to predict the inhibitory effect of ligands of sphingosine kinase 1 using QTAIM calculations and hydrogen bond dynamic propensity analysis

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Effect of Xanthone and 1-Hydroxy Xanthone on the Dipole Potential of Lipid Membranes

Colloids and Interface Science Communications; Año: 2018 vol. 26 p. 24 - 31

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Design, synthesis and biological evaluation of 1,3-dihydroxyxanthone derivatives: Effective agents against acetylcholinesterase

BIOORGANIC CHEMISTRY; Año: 2017

MONTES DE OCA, JOAN MANUEL; MENÉNDEZ, CINTIA A.; ACCORDINO, SEBASTIÁN R.; MALASPINA, DAVID C.; APPIGNANESI, GUSTAVO A.

Studies on electrostatic interactions within model nano-confined aqueous environments of different chemical nature

The European Physical Journal E; Año: 2017 vol. 40

CINTIA A. MENÉDEZ; SEBASTIAN R. ACCORDINO; DARÍO C. GERBINO; GUSTAVO A APPIGNANESI

Hydrogen Bond Dynamic Propensity Studies for Protein Binding and Drug Design

PLOS ONE; Lugar: San Francisco; Año: 2016

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"Chameleonic" backbone hydrogen bonds in protein binding and as drug targets

The European Physical Journal E; Lugar: Paris; Año: 2015

CINTIA MENÉNDEZ

One-Step Synthesis of Xanthones Catalyzed by a Highly Efficient Copper-Based Magnetically Recoverable Nanocatalyst

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