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Using normal mode analysis on protein structural models. How far can we go on our predictions?

Proteins, structure, function, and bioinformatics, 2021-05, Vol.89 (5), p.531-543

2021

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Cryo-EM structure of aerolysin variants reveals a novel protein fold and the pore-formation process

Nature communications, 2016-07, Vol.7 (1), p.12062-12062, Article 12062

2016

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Single-molecule sensing of peptides and nucleic acids by engineered aerolysin nanopores

Nature communications, 2019-10, Vol.10 (1), p.4918-11, Article 4918

2019

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Mapping the sensing spots of aerolysin for single oligonucleotides analysis

Nature communications, 2018-07, Vol.9 (1), p.2823-9, Article 2823

2018

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Diterpenes isolated from Canistrocarpus cervicornis with virucidal activity against HIV-1: an in silico evaluation

Natural product research, 2022-11, Vol.36 (22), p.5783-5787

2022

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In Vitro and in Vivo Anti-Trypanosoma cruzi Activity of New Arylamine Mannich Base-Type Derivatives

Journal of medicinal chemistry, 2016-12, Vol.59 (24), p.10929-10945

2016

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Repositioning of leishmanicidal [1,2,3]Triazolo[1,5-a]pyridinium salts for Chagas disease treatment: Trypanosoma cruzi cell death involving mitochondrial membrane depolarisation and Fe-SOD inhibition

Parasitology research (1987), 2020-09, Vol.119 (9), p.2943-2954

2020

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Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain

Wiley interdisciplinary reviews. Computational molecular science, 2023-01, Vol.13 (1), p.e1623-n/a

2023

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Three-Finger Toxins from Brazilian Coral Snakes: From Molecular Framework to Insights in Biological Function

Toxins, 2021-04, Vol.13 (5), p.328

2021

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Identification of Aryl Polyamines Derivatives as Anti- Trypanosoma cruzi Agents Targeting Iron Superoxide Dismutase

Pharmaceutics, 2022-12, Vol.15 (1), p.140

2022

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Melanin-concentrating hormone receptor 1 antagonists: a new perspective for the pharmacologic treatment of obesity

Current medicinal chemistry, 2008-04, Vol.15 (10), p.1025-1043

2008

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Design, Synthesis and Evaluation of New Fluoroamodiaquine Analogues

Chemical and Pharmaceutical Bulletin, 2016-06, Vol.64 (6), p.594-601

2016

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Structural insights into the allosteric site of Arabidopsis NADP-malic enzyme 2: role of the second sphere residues in the regulatory signal transmission

Plant molecular biology, 2021-09, Vol.107 (1-2), p.37-48

2021

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Design, Synthesis and Evaluation of New Fluoroamodiaquine Analogues

Chemical and Pharmaceutical Bulletin, 2016/06/01, Vol.64(6), pp.594-601

2016

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Rational modification of Mannich base-type derivatives as novel antichagasic compounds: Synthesis, in vitro and in vivo evaluation

Bioorganic & medicinal chemistry, 2019-09, Vol.27 (17), p.3902-3917

2019

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Brazilian three-finger toxins: What can we learn? From molecular framework to insights in biological function

Toxicon (Oxford), 2020-04, Vol.177, p.S57-S57

2020

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Genetic and Structural Analysis of Merkel Cell Polyomavirus Large T Antigen from Diverse Biological Samples

Intervirology, 2014-01, Vol.57 (6), p.331-336

2014

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Structural, physicochemical and dynamic features conserved within the aerolysin pore-forming toxin family

Scientific reports, 2017-10, Vol.7 (1), p.13932-12, Article 13932

2017

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Abstract P250: Unveiling Binding Pocket Structure Of Mas Receptor And Its Interaction With Angiotensin-(1-7)

Hypertension (Dallas, Tex. 1979), 2018-09, Vol.72 (Suppl_1)

2018

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Second Generation of Mannich Base-Type Derivatives with in Vivo Activity against Trypanosoma cruzi

Journal of medicinal chemistry, 2018-07, Vol.61 (13), p.5643-5663

2018

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Aerolysin nanopores decode digital information stored in tailored macromolecular analytes

Science advances, 2020-12, Vol.6 (50)

2020

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A step towards development of promising trypanocidal agents: Synthesis, characterization and in vitro biological evaluation of ferrocenyl Mannich base-type derivatives

European journal of medicinal chemistry, 2019-02, Vol.163, p.569-582

2019

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In Vivo Biological Evaluation of a Synthetic Royleanone Derivative as a Promising Fast-Acting Trypanocidal Agent by Inducing Mitochondrial-Dependent Necrosis

Journal of natural products (Washington, D.C.), 2020-12, Vol.83 (12), p.3571-3583

2020

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Cover Image, Volume 13, Issue 1

Wiley interdisciplinary reviews. Computational molecular science, 2023-01, Vol.13 (1), p.n/a

2023

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Correction to In Vitro and in Vivo Anti-Trypanosoma cruzi Activity of New Arylamine Mannich Base-Type Derivatives

Journal of medicinal chemistry, 2017-03, Vol.60 (6), p.2604-2604

2017

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Using normal mode analysis on protein structural models. How far can we go on our predictions?

Cryo-EM structure of aerolysin variants reveals a novel protein fold and the pore-formation process

Single-molecule sensing of peptides and nucleic acids by engineered aerolysin nanopores

Mapping the sensing spots of aerolysin for single oligonucleotides analysis

Diterpenes isolated from Canistrocarpus cervicornis with virucidal activity against HIV-1: an in silico evaluation

In Vitro and in Vivo Anti-Trypanosoma cruzi Activity of New Arylamine Mannich Base-Type Derivatives

Repositioning of leishmanicidal [1,2,3]Triazolo[1,5-a]pyridinium salts for Chagas disease treatment: Trypanosoma cruzi cell death involving mitochondrial membrane depolarisation and Fe-SOD inhibition

Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain

Three-Finger Toxins from Brazilian Coral Snakes: From Molecular Framework to Insights in Biological Function

Identification of Aryl Polyamines Derivatives as Anti- Trypanosoma cruzi Agents Targeting Iron Superoxide Dismutase

Melanin-concentrating hormone receptor 1 antagonists: a new perspective for the pharmacologic treatment of obesity

Design, Synthesis and Evaluation of New Fluoroamodiaquine Analogues

Structural insights into the allosteric site of Arabidopsis NADP-malic enzyme 2: role of the second sphere residues in the regulatory signal transmission

Design, Synthesis and Evaluation of New Fluoroamodiaquine Analogues

Rational modification of Mannich base-type derivatives as novel antichagasic compounds: Synthesis, in vitro and in vivo evaluation

Brazilian three-finger toxins: What can we learn? From molecular framework to insights in biological function

Genetic and Structural Analysis of Merkel Cell Polyomavirus Large T Antigen from Diverse Biological Samples

Structural, physicochemical and dynamic features conserved within the aerolysin pore-forming toxin family

Abstract P250: Unveiling Binding Pocket Structure Of Mas Receptor And Its Interaction With Angiotensin-(1-7)

Second Generation of Mannich Base-Type Derivatives with in Vivo Activity against Trypanosoma cruzi

Aerolysin nanopores decode digital information stored in tailored macromolecular analytes

A step towards development of promising trypanocidal agents: Synthesis, characterization and in vitro biological evaluation of ferrocenyl Mannich base-type derivatives

In Vivo Biological Evaluation of a Synthetic Royleanone Derivative as a Promising Fast-Acting Trypanocidal Agent by Inducing Mitochondrial-Dependent Necrosis

Cover Image, Volume 13, Issue 1

Correction to In Vitro and in Vivo Anti-Trypanosoma cruzi Activity of New Arylamine Mannich Base-Type Derivatives

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