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The stressed life of a lipid in the Zika virus membrane

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Lugar: Amsterdam; Año: 2022

GISONNO, ROMINA A.; MASSON, TOMAS; RAMELLA, NAHUEL A.; BARRERA, EXEQUIEL E.; ROMANOWSKI, VÍCTOR; TRICERRI, M. ALEJANDRA

Evolutionary and structural constraints influencing apolipoprotein A-I amyloid behavior

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KLEIN, FLORENCIA; BARRERA, EXEQUIEL E.; SERGIO PANTANO

Assessing SIRAH's Capability to Simulate Intrinsically Disordered Proteins and Peptides

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2021

BARRERA, EXEQUIEL E.; FRANCESCO ZONTA; PANTANO, SERGIO

Dissecting the role of glutamine in seeding peptide aggregation

Computational and Structural Biotechnology Journal; Año: 2021

GARAY, PABLO G.; BARRERA, EXEQUIEL E.; PANTANO, SERGIO

Post-Translational Modifications at the Coarse-Grained Level with the SIRAH Force Field

JOURNAL OF CHEMICAL INFORMATION AND MODELING; Año: 2020

FRIGINI, EZEQUIEL N.; BARRERA, EXEQUIEL E.; PANTANO, SERGIO; PORASSO, RODOLFO D.

Role of membrane curvature on the activation/deactivation of Carnitine Palmitoyltransferase 1A: A coarse grain molecular dynamic study

BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES; Año: 2020 vol. 1862

ANDREA MEDEIROS; DIEGO BENITEZ; RICARDA S. KORN; VINICIUS C. FERREIRA; BARRERA, EXEQUIEL; PRITSCH, OTTO; PANTANO, SERGIO; CONRAD KUNICK; CAMILA I. DE OLIVEIRA; OLIVER C. F. ORBAN; MARCELO A. COMINI

Mechanistic and biological characterisation of novel N 5-substituted paullones targeting the biosynthesis of trypanothione in Leishmania

JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY; Año: 2020

GÓMEZ CASTRO, MARÍA FLORENCIA; MICULÁN, EMANUEL; HERRERA, MARÍA GEORGINA; RUERA, CAROLINA; PEREZ, FEDERICO; PRIETO, EDUARDO DANIEL; BARRERA, EXEQUIEL; PANTANO, SERGIO; CARASI, PAULA; CHIRDO, FERNANDO GABRIEL

P31-43 gliadin peptide forms oligomers and induces NLRP3 inflammasome/caspase 1-dependent mucosal damage in small intestine

Frontiers in Immunology; Año: 2019 vol. 10

HERRERA, MARÍA GEORGINA; GÓMEZ CASTRO, MARÍA FLORENCIA; PRIETO, EDUARDO; BARRERA, EXEQUIEL; DODERO, VERONICA ISABEL; PANTANO, SERGIO; CHIRDO, FERNANDO

Structural conformation and self-assembly process of p31-43 gliadin peptide in aqueous solution. Implications for celiac disease

FEBS JOURNAL; Año: 2019

BARRERA, EXEQUIEL E.; MACHADO, MATÍAS R.; PANTANO, SERGIO

Fat SIRAH: Coarse-Grained Phospholipids to Explore Membrane-Protein Dynamics

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2019

MACHADO, MATÍAS R.; BARRERA, EXEQUIEL E.; KLEIN, FLORENCIA; SÓNORA, MARTÍN; SILVA, STEFFANO; PANTANO, SERGIO

The SIRAH 2.0 Force Field: Altius, Fortius, Citius

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2019 vol. 15 p. 2719 - 2733

OTERO, LUCÍA; MARTÍNEZ-ROSALES, CECILIA; BARRERA, EXEQUIEL; PANTANO, SERGIO; SALINAS, GUSTAVO

Complex I and II Subunit Gene Duplications Provide Increased Fitness to Worms

Frontiers in Genetics; Año: 2019 vol. 10

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Searching for improved mimetic peptides inhibitors preventing conformational transition of amyloid-β 42 monomer

BIOORGANIC CHEMISTRY; Año: 2018 vol. 81 p. 211 - 221

BARRERA, EXEQUIEL E.; FRIGINI, EZEQUIEL N.; PORASSO, RODOLFO D.; PANTANO, SERGIO

Modeling DMPC lipid membranes with SIRAH force-field

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2017 vol. 23

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Pentameric models as alternative molecular targets for the design of new antiaggregant agents

CURRENT PROTEIN AND PEPTIDE SCIENCE; Año: 2016 vol. 17 p. 156 - 168

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Conformational transition of Aβ42 inhibited by a mimetic peptide. A molecular modeling study using QM/MM calculations and QTAIM analysis

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ASTRADA, SOLEDAD; GOMEZ, YOLANDA; BARRERA, EXEQUIEL; OBAL, GONZALO; PRITSCH, OTTO; PANTANO, SERGIO; VALLESPÍ, MARIBEL G.; BOLLATI-FOGOLÍN, MARIELA

Comparative analysis reveals amino acids critical for anticancer activity of peptide CIGB-552

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GUTIERREZ, LUCAS J.; BARRERA GUISASOLA, EXEQUIEL E.; PERUCHENA, NELIDA; ENRIZ, RICARDO D.

A QM/MM study of the molecular recognition site of bapineuzumab toward the amyloid-β peptide isoforms

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New mimetic peptides inhibitors of β aggregation. Molecular guidance for rational drug design

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Dynamic function of the alkyl spacer of acetogenins as potent inhibitors of mitochondrial complex I. A molecular dynamics simulation approach

MEDICINAL CHEMISTRY; Año: 2013 vol. 9 p. 926 - 937

GUISASOLA, EXEQUIEL E. BARRERA; MASMAN, MARCELO F.; ENRIZ, RICARDO D.; RODRÍGUEZ, ANA M.

Structure of isolated tyrosyl-glycyl-glycine tripeptide. A comparative conformational study with peptides containing an aromatic ring

CENTRAL EUROPEAN JOURNAL OF CHEMISTRY; Año: 2010 vol. 8 p. 566 - 575