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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer

Journal of chemical information and modeling, 2011-07, Vol.51 (7), p.1623-1633

2011

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Aromatic clusters in protein–protein and protein–drug complexes

Journal of cheminformatics, 2020-05, Vol.12 (1), p.30-9, Article 30

2020

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Solvents to Fragments to Drugs: MD Applications in Drug Design

Molecules (Basel, Switzerland), 2018-12, Vol.23 (12), p.3269

2018

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Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

PLoS computational biology, 2015-03, Vol.11 (3), p.e1004051-e1004051

2015

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An integrative, multi-omics approach towards the prioritization of Klebsiella pneumoniae drug targets

Scientific reports, 2018-07, Vol.8 (1), p.10755-19, Article 10755

2018

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Biased Docking for Protein-Ligand Pose Prediction

Methods in molecular biology (Clifton, N.J.), 2021, Vol.2266, p.39

2021

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AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions

Bioinformatics, 2019-10, Vol.35 (19), p.3836-3838

2019

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Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

Journal of chemical information and modeling, 2019-08, Vol.59 (8), p.3572-3583

2019

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Omics data integration facilitates target selection for new antiparasitic drugs against TriTryp infections

Frontiers in pharmacology, 2023-04, Vol.14, p.1136321-1136321

2023

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MAPK’s networks and their capacity for multistationarity due to toric steady states

Mathematical biosciences, 2015-04, Vol.262, p.125-137

2015

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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

Biochemical and biophysical research communications, 2018-03, Vol.498 (2), p.305-312

2018

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Spatial and Seasonal Variations in the Bacterial Community of an Anthropogenic Impacted Urban Stream

Microbial ecology, 2023-04, Vol.85 (3), p.862-874

2023

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Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines

Anti-cancer agents in medicinal chemistry, 2014-01, Vol.14 (6), p.840-851

2014

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Structural and functional characterization of a cold‐adapted stand‐alone TPM domain reveals a relationship between dynamics and phosphatase activity

The FEBS journal, 2016-12, Vol.283 (23), p.4370-4385

2016

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QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis

Proteins, structure, function, and bioinformatics, 2014-06, Vol.82 (6), p.1004-1021

2014

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MRSA dynamic circulation between the community and the hospital setting: New insights from a cohort study

The Journal of infection, 2020-01, Vol.80 (1), p.24-37

2020

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Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

Journal of chemical information and modeling, 2017-04, Vol.57 (4), p.846-863

2017

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A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies

Journal of immunological methods, 2015-10, Vol.425, p.51-57

2015

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Fluoromycobacteriophages Can Detect Viable Mycobacterium tuberculosis and Determine Phenotypic Rifampicin Resistance in 3-5 Days From Sputum Collection

Frontiers in microbiology, 2018-07, Vol.9, p.1471-1471

2018

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Pathway Driven Target Selection in Klebsiella pneumoniae : Insights Into Carbapenem Exposure

Frontiers in cellular and infection microbiology, 2022-01, Vol.12, p.773405-773405

2022

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Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain

Proteins, structure, function, and bioinformatics, 2014-11, Vol.82 (11), p.3062-3078

2014

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In silico structural and functional characterization of the RSUME splice variants

PloS one, 2013-02, Vol.8 (2), p.e57795-e57795

2013

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An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets

BMC genomics, 2015-05, Vol.16 Suppl 5 (S5), p.S9-S9, Article S9

2015

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Genetics and genomic medicine in Argentina

Molecular genetics & genomic medicine, 2018-07, Vol.6 (4), p.481-491

2018

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The Crystal Structure of the MAP Kinase LmaMPK10 from Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms

Structure (London), 2012-10, Vol.20 (10), p.1649-1660

2012

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Aromatic–Aromatic Interactions in Proteins: Beyond the Dimer

Aromatic clusters in protein–protein and protein–drug complexes

Solvents to Fragments to Drugs: MD Applications in Drug Design

Protein topology determines cysteine oxidation fate: the case of sulfenyl amide formation among protein families

An integrative, multi-omics approach towards the prioritization of Klebsiella pneumoniae drug targets

Biased Docking for Protein-Ligand Pose Prediction

AutoDock Bias: improving binding mode prediction and virtual screening using known protein–ligand interactions

Cosolvent-Based Protein Pharmacophore for Ligand Enrichment in Virtual Screening

Omics data integration facilitates target selection for new antiparasitic drugs against TriTryp infections

MAPK’s networks and their capacity for multistationarity due to toric steady states

Multiscale approach to the activation and phosphotransfer mechanism of CpxA histidine kinase reveals a tight coupling between conformational and chemical steps

Spatial and Seasonal Variations in the Bacterial Community of an Anthropogenic Impacted Urban Stream

Preclinical development of novel Rac1-GEF signaling inhibitors using a rational design approach in highly aggressive breast cancer cell lines

Structural and functional characterization of a cold‐adapted stand‐alone TPM domain reveals a relationship between dynamics and phosphatase activity

QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis

MRSA dynamic circulation between the community and the hospital setting: New insights from a cohort study

Molecular Dynamics in Mixed Solvents Reveals Protein–Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions

A computational study of the interaction of the foot and mouth disease virus VP1 with monoclonal antibodies

Fluoromycobacteriophages Can Detect Viable Mycobacterium tuberculosis and Determine Phenotypic Rifampicin Resistance in 3-5 Days From Sputum Collection

Pathway Driven Target Selection in Klebsiella pneumoniae : Insights Into Carbapenem Exposure

Solution and crystal structure of BA42, a protein from the Antarctic bacterium Bizionia argentinensis comprised of a stand-alone TPM domain

In silico structural and functional characterization of the RSUME splice variants

An integrated structural proteomics approach along the druggable genome of Corynebacterium pseudotuberculosis species for putative druggable targets

Genetics and genomic medicine in Argentina

The Crystal Structure of the MAP Kinase LmaMPK10 from Leishmania Major Reveals Parasite-Specific Features and Regulatory Mechanisms

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