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Critical Features of Fragment Libraries for Protein Structure Prediction

PloS one, 2017-01, Vol.12 (1), p.e0170131-e0170131

2017

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Prion protein conversion triggered by acidic condition: a molecular dynamics study through different force fields

Journal of computational chemistry, 2018-09, Vol.39 (24), p.2000-2011

2018

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Design, synthesis, cholinesterase inhibition and molecular modelling study of novel tacrine hybrids with carbohydrate derivatives

Bioorganic & medicinal chemistry, 2018-11, Vol.26 (20), p.5566-5577

2018

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Design, Synthesis and Biological Evaluation of Novel Triazole N -acylhydrazone Hybrids for Alzheimer's Disease

Molecules (Basel, Switzerland), 2020-07, Vol.25 (14), p.3165

2020

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In Silico Analysis of Dengue Virus Serotype 2 Mutations Detected at the Intrahost Level in Patients with Different Clinical Outcomes

Microbiology spectrum, 2021-10, Vol.9 (2), p.e0025621-e0025621

2021

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Anti-Restriction Gene Homologs Are Highly Represented in Methicillin-Resistant and Multidrug-Resistant Staphylococcus aureus ST239 and ST398: Implications for Resistance Gene Acquisitions

Antibiotics (Basel), 2022-09, Vol.11 (9), p.1217

2022

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A dynamic niching genetic algorithm strategy for docking highly flexible ligands

Information sciences, 2014-12, Vol.289, p.206-224

2014

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DockThor-VS: A Free Platform for Receptor-Ligand Virtual Screening

Journal of molecular biology, 2024-03, p.168548, Article 168548

2024

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A multiple minima genetic algorithm for protein structure prediction

Applied soft computing, 2014-02, Vol.15, p.88-99

2014

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Analysis of a novel class A β-lactamase OKP-B-6 of Klebsiella quasipneumoniae: structural characterisation and interaction with commercially available drugs

Memórias do Instituto Oswaldo Cruz, 2022-01, Vol.117, p.e220102-e220102

2022

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Cinnamoyl-N-Acylhydrazone-Donepezil Hybrids: Synthesis and Evaluation of Novel Multifunctional Ligands Against Neurodegenerative Diseases

Neurochemical research, 2020-12, Vol.45 (12), p.3003-3020

2020

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Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach

European journal of medicinal chemistry, 2016-10, Vol.121, p.758-772

2016

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Anti-Restriction Gene Homologs Are Highly Represented in Methicillin-Resistant and Multidrug-Resistant IStaphylococcus aureus/I ST239 and ST398: Implications for Resistance Gene Acquisitions

Antibiotics (Basel), 2022-09, Vol.11 (9)

2022

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Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling

MedChemComm, 2019-12, Vol.1 (12), p.289-211

2019

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A unique SaeS allele overrides cell-density dependent expression of saeR and lukSF-PV in the ST30-SCCmecIV lineage of CA-MRSA

International journal of medical microbiology, 2016-09, Vol.306 (6), p.367-380

2016

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Synthesis of new lophine–carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling† †Electronic supplementary information (ESI) available: Graphics and extra data of in vitro and in silico experiments and detailed spectroscopic characterization. See DOI: 10.1039/c9md00358d

MedChemComm, 2019-11, Vol.10 (12), p.2089-2101

2019

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Computational evaluation of natural compounds as potential inhibitors of human PEPCK-M: an alternative for lung cancer therapy

Advances and applications in bioinformatics and chemistry, 2019-08, Vol.12, p.15-32

2019

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A unique SaeS allele overrides cell-density dependent expression of saeR and lukSF-PV in the ST30-SCC mec IV lineage of CA-MRSA

International journal of medical microbiology, 2016

2016

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Analysis of α4 β1integrin specific antagonists binding modes: structural insights by molecular docking, molecular dynamics and linear interaction energy method for free energy calculations

Journal of the Brazilian Chemical Society, 2010, Vol.21 (3), p.546-555

2010

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Comparison of differential evolution variants for the molecular ligand-receptor docking problem

2015 Latin America Congress on Computational Intelligence (LA-CCI), 2015, p.1-6

2015

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A multiobjective approach for protein structure prediction using a steady-state genetic algorithm with phenotypic crowding

2015 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB), 2015, p.1-8

2015

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BTN3A molecules considerably improve Vγ9Vδ2T cells-based immunotherapy in acute myeloid leukemia

Oncoimmunology, 2016-10, Vol.5 (10), p.e1146843-e1146843

2016

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Critical Features of Fragment Libraries for Protein Structure Prediction

Prion protein conversion triggered by acidic condition: a molecular dynamics study through different force fields

Design, synthesis, cholinesterase inhibition and molecular modelling study of novel tacrine hybrids with carbohydrate derivatives

Design, Synthesis and Biological Evaluation of Novel Triazole N -acylhydrazone Hybrids for Alzheimer's Disease

In Silico Analysis of Dengue Virus Serotype 2 Mutations Detected at the Intrahost Level in Patients with Different Clinical Outcomes

Anti-Restriction Gene Homologs Are Highly Represented in Methicillin-Resistant and Multidrug-Resistant Staphylococcus aureus ST239 and ST398: Implications for Resistance Gene Acquisitions

A dynamic niching genetic algorithm strategy for docking highly flexible ligands

DockThor-VS: A Free Platform for Receptor-Ligand Virtual Screening

A multiple minima genetic algorithm for protein structure prediction

Analysis of a novel class A β-lactamase OKP-B-6 of Klebsiella quasipneumoniae: structural characterisation and interaction with commercially available drugs

Cinnamoyl-N-Acylhydrazone-Donepezil Hybrids: Synthesis and Evaluation of Novel Multifunctional Ligands Against Neurodegenerative Diseases

Novel series of tacrine-tianeptine hybrids: Synthesis, cholinesterase inhibitory activity, S100B secretion and a molecular modeling approach

Anti-Restriction Gene Homologs Are Highly Represented in Methicillin-Resistant and Multidrug-Resistant IStaphylococcus aureus/I ST239 and ST398: Implications for Resistance Gene Acquisitions

Synthesis of new lophine-carbohydrate hybrids as cholinesterase inhibitors: cytotoxicity evaluation and molecular modeling

Design, synthesis, and biological evaluation of new thalidomide-donepezil hybrids as neuroprotective agents targeting cholinesterases and neuroinflammation

A unique SaeS allele overrides cell-density dependent expression of saeR and lukSF-PV in the ST30-SCCmecIV lineage of CA-MRSA

Computational evaluation of natural compounds as potential inhibitors of human PEPCK-M: an alternative for lung cancer therapy

A unique SaeS allele overrides cell-density dependent expression of saeR and lukSF-PV in the ST30-SCC mec IV lineage of CA-MRSA

Analysis of α4 β1integrin specific antagonists binding modes: structural insights by molecular docking, molecular dynamics and linear interaction energy method for free energy calculations

Comparison of differential evolution variants for the molecular ligand-receptor docking problem

A multiobjective approach for protein structure prediction using a steady-state genetic algorithm with phenotypic crowding

BTN3A molecules considerably improve Vγ9Vδ2T cells-based immunotherapy in acute myeloid leukemia

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