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João Tiago Soares Coimbra

AuthID: R-000-TTR

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Confirmed Publications: 35

1

TITLE: Beyond the TPP<SUP>+</SUP> "gold standard": a new generation mitochondrial delivery vector based on extended PN frameworks
AUTHORS: Ong, How Chee; Coimbra, Joao T. S. ; Ramos, Maria J. ; Xing, Bengang; Fernandes, Pedro A. ; Garcia, Felipe;
PUBLISHED: 2023, SOURCE: CHEMICAL SCIENCE, VOLUME: 14, ISSUE: 15

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2

TITLE: Deciphering the Catalytic Mechanism of Virginiamycin B Lyase with Multiscale Methods and Molecular Dynamics Simulations Full Text
AUTHORS: Coimbra, Joas T. S. ; Fernandes, Pedro A. ; Ramos, Maria J. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 20

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3

TITLE: Different Enzyme Conformations Induce Different Mechanistic Traits in HIV-1 Protease Full Text
AUTHORS: Coimbra, Joao T. S. ; Neves, Rui P. P. ; Cunha, Ana, V; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2022, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 28, ISSUE: 42

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4

TITLE: Exploring the permeation of fluoroquinolone metalloantibiotics across outer membrane porins by combining molecular dynamics simulations and a porin-mimetic in vitro model Full Text
AUTHORS: Sousa, Carla F.; Coimbra, Joao T. S. ; Richter, Robert; Morais Cabral, Joao H.; Ramos, Maria J. ; Lehr, Claus Michael; Fernandes, Pedro A. ; Gameiro, Paula ;
PUBLISHED: 2022, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES, VOLUME: 1864, ISSUE: 3

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5

TITLE: Transmembrane Protease Serine 2 Proteolytic Cleavage of the SARS-CoV-2 Spike Protein: A Mechanistic Quantum Mechanics/Molecular Mechanics Study to Inspire the Design of New Drugs To Fight the COVID-19 Pandemic Full Text
AUTHORS: Teixeira, Luis M. C.; Coimbra, Joao T. S. ; Ramos, Maria Joao ; Fernandes, Pedro Alexandrino ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 10

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6

TITLE: Alkyl vs. aryl modifications: a comparative study on modular modifications of triphenylphosphonium mitochondrial vectors
AUTHORS: Ong, HC; Coimbra, JTS ; Kwek, G; Ramos, MJ ; Xing, BA; Fernandes, PA ; Garcia, F;
PUBLISHED: 2021, SOURCE: RSC CHEMICAL BIOLOGY, VOLUME: 2, ISSUE: 6

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7

TITLE: Passive Diffusion of Ciprofloxacin and its Metalloantibiotic: A Computational and Experimental study Full Text
AUTHORS: Sousa, CF; Coimbra, JTS ; Ferreira, Mariana ; Pereira Leite, C; Reis, S ; Ramos, MJ ; Fernandes, PA ; Gameiro, Paula ;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR BIOLOGY, VOLUME: 433, ISSUE: 9

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8

TITLE: The importance of intramolecular hydrogen bonds on the translocation of the small drug piracetam through a lipid bilayer
AUTHORS: Coimbra, JTS ; Feghali, R; Ribeiro, RP; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2021, SOURCE: RSC ADVANCES, VOLUME: 11, ISSUE: 2

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9

TITLE: A computational study on the redox properties and binding affinities of iron complexes of hydroxypyridinones Full Text
AUTHORS: Joao T S Coimbra ; Natercia F Bras ; Pedro A Fernandes ; Maria Rangel ; Maria J Ramos ;
PUBLISHED: 2019, SOURCE: JOURNAL OF MOLECULAR MODELING, VOLUME: 25, ISSUE: 6

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10

TITLE: Combining theoretical and experimental approaches to understand the mechanism of antibiotic permeation: implications on the fight against bacterial resistance Full Text
AUTHORS: Sousa, CF; Coimbra, JT ; Ramose, MJ ; Fernandes, PA ; Gameiro, Paula ;
PUBLISHED: 2019, SOURCE: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP) in EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 48

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