Publications by authors named "Lucas A Defelipe"

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ChiraKit: an online tool for the analysis of circular dichroism spectroscopy data.
Osvaldo Burastero, Nykola C Jones, Lucas A Defelipe, Uroš Zavrtanik, San Hadži

Nucleic Acids Res· July 2025

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Sla2 is a core interaction hub for clathrin light chain and the Pan1/End3/Sla1 complex.
George Draper-Barr, Lucas A Defelipe, David Ruiz-Carrillo, Emil Gustavsson, Meytal Landau

Structure· July 2025

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The Supramolecular Architecture of Mitochondrial Complex I in the Rat Brain Is Altered by Alzheimer's-Like Cerebral Amyloidosis.
Gisela V Novack, Pablo Galeano, Lucas A Defelipe, Lorenzo Campanelli, Karen S Campuzano

J Neurochem· February 2025

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Yerba mate () genome provides new insights into convergent evolution of caffeine biosynthesis.
Federico A Vignale, Andrea Hernandez Garcia, Carlos P Modenutti, Ezequiel J Sosa, Lucas A Defelipe

Elife· January 2025

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Subtleties in Clathrin heavy chain binding boxes provide selectivity among adaptor proteins of budding yeast.
Lucas A Defelipe, Katharina Veith, Osvaldo Burastero, Tatiana Kupriianova, Isabel Bento

Nat Commun· November 2024

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Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs.
Gonzalo F Mayol, Lucas A Defelipe, Juan Pablo Arcon, Adrian G Turjanski, Marcelo A Marti

J Chem Inf Model· August 2022

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Cosolvent Sites-Based Discovery of Protein Kinase G Inhibitors.
Osvaldo Burastero, Lucas A Defelipe, Gabriel Gola, Nancy L Tateosian, Elias D Lopez

J Med Chem· July 2022

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Specificity and Reactivity of Serine/Threonine Kinases PknG and PknB.
Osvaldo Burastero, Marisol Cabrera, Elias D Lopez, Lucas A Defelipe, Juan Pablo Arcon

J Chem Inf Model· April 2022

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Gp29 LysA of mycobacteriophage TM4 can hydrolyze peptidoglycan through an N-acetyl-muramoyl-L-alanine amidase activity.
Estefanía Urdániz, Mariano Martín, Florencia Payaslián, Lucas Alfredo Defelipe, Martín Dodes

Biochim Biophys Acta Proteins Proteom· February 2022

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Structural basis for the Pr-Pfr long-range signaling mechanism of a full-length bacterial phytochrome at the atomic level.
Lisandro H Otero, Sabrina Foscaldi, Giuliano T Antelo, Germán L Rosano, Serena Sirigu, Lucas A Defelipe

Sci Adv· November 2021

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Deamidation drives molecular aging of the SARS-CoV-2 spike protein receptor-binding motif.
Ramiro Lorenzo, Lucas A Defelipe, Lucio Aliperti, Stephan Niebling, Tânia F Custódio

J Biol Chem· October 2021

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eSPC: an online data-analysis platform for molecular biophysics.
Osvaldo Burastero, Stephan Niebling, Lucas A Defelipe, Christian Günther, Angelica Struve

Acta Crystallogr D Struct Biol· October 2021

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Six novel variants in the PKLR gene associated with pyruvate kinase deficiency in Argentinian patients.
Berenice Milanesio, Carolina Pepe, Lucas A Defelipe, Silvia Eandi Eberle, Vanesa Avalos Gomez

Clin Biochem· May 2021

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FoldAffinity: binding affinities from nDSF experiments.
Stephan Niebling, Osvaldo Burastero, Jérôme Bürgi, Christian Günther, Lucas A Defelipe

Sci Rep· May 2021

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New one-pot synthesis of anti-tuberculosis compounds inspired on isoniazid.
Diego G Ghiano, Alejandro Recio-Balsells, Ana Bortolotti, Lucas A Defelipe, Adrián Turjanski

Eur J Med Chem· December 2020

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Aromatic clusters in protein-protein and protein-drug complexes.
Esteban Lanzarotti, Lucas A Defelipe, Marcelo A Marti, Adrián G Turjanski

J Cheminform· May 2020

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Kinase Activation by Small Conformational Changes.
Elias D Lopez, Osvaldo Burastero, Juan P Arcon, Lucas A Defelipe, Natalie G Ahn

J Chem Inf Model· February 2020

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Conformational and Reaction Dynamic Coupling in Histidine Kinases: Insights from Hybrid QM/MM Simulations.
Federico A Olivieri, Osvaldo Burastero, Salvador I Drusin, Lucas A Defelipe, Diana E Wetzler

J Chem Inf Model· February 2020

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AutoDock Bias: improving binding mode prediction and virtual screening using known protein-ligand interactions.
Juan Pablo Arcon, Carlos P Modenutti, Demian Avendaño, Elias D Lopez, Lucas A Defelipe

Bioinformatics· October 2019

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Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening.
Juan Pablo Arcon, Lucas A Defelipe, Elias D Lopez, Osvaldo Burastero, Carlos P Modenutti

J Chem Inf Model· August 2019

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Solvents to Fragments to Drugs: MD Applications in Drug Design.
Lucas A Defelipe, Juan Pablo Arcon, Carlos P Modenutti, Marcelo A Marti, Adrián G Turjanski

Molecules· December 2018

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Correction to Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking and Allows Accurate Binding Free Energy Predictions.
Juan Pablo Arcon, Lucas A Defelipe, Carlos P Modenutti, Elias D López, Daniel Alvarez Garcia

J Chem Inf Model· June 2018

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Corrigendum to "A whole genome bioinformatic approach to determine potential latent phase specific targets in Mycobacterium tuberculosis" [Tuberculosis 97 (March 2016) 181-192].
Lucas A Defelipe, Dario Fernandez Do Porto, Pablo Ivan Pereira Ramos, Marisa Fabiana Nicolas, Ezequiel Sosa

Tuberculosis (Edinb)· May 2018

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Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis.
Lucas A Defelipe, Federico Osman, Marcelo A Marti, Adrián G Turjanski

Biochem Biophys Res Commun· March 2018

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Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps.
Franco Marsico, Osvaldo Burastero, Lucas A Defelipe, Elias Daniel Lopez, Mehrnoosh Arrar

Biochem Biophys Res Commun· March 2018

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