Miguel Ângelo dos Santos Machuqueiro


AuthID: R-000-D71

Confirmed Publications: 119



1
TITLE: Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations  Full Text
AUTHORS: Yousef, Mohannad J.; Oliveira, Nuno F. B.; Vitorino, Joao N. M.; Reis, Pedro B. P. S.; Draczkowski, Piotr; Maj, Maciej; Jozwiak, Krzysztof; Machuqueiro, Miguel ;
PUBLISHED: 2025, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 21, ISSUE: 5
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
2
TITLE: Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domain
AUTHORS: Oliveira, Nuno F. B.; Ladokhin, Alexey S.; Machuqueiro, Miguel ;
PUBLISHED: 2024, SOURCE: BIOPHYSICAL JOURNAL, VOLUME: 123, ISSUE: 24
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
3
TITLE: Dual FGFR-targeting and pH-activatable ruthenium-peptide conjugates for targeted therapy of breast cancer  Full Text
AUTHORS: Machado, Joao Franco; Sa, Marco; Pires, Ines; da Silva, Miguel Tarita; Marques, Fernanda; Coelho, Jaime A. S.; Mendes, Filipa ; Piedade, M. Fatima M.; Machuqueiro, Miguel ; Jimenez, Maria Angeles; Garcia, Maria Helena; Correia, Joao D. G.; Morais, Tania S.;
PUBLISHED: 2024, SOURCE: DALTON TRANSACTIONS, VOLUME: 53, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
4
TITLE: High Charge Density in Peptide Dendrimers is Required to Destabilize Membranes: Insights into Endosome Evasion
AUTHORS: Rodrigues, Filipe E. P.; Darbre, Tamis; Machuqueiro, Miguel ;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 64, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID | CIÊNCIAVITAE
5
TITLE: Influence of Iodine Merz-Singh-Kollman Radius on the Calculated Charges and Hydration Free Energies of Iodinated Molecules
AUTHORS: Fortuna, Andreia; Suzano, Pedro M. S.; Machuqueiro, Miguel ; Costa, Paulo J. ;
PUBLISHED: 2024, SOURCE: JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, VOLUME: 23, ISSUE: 04
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
6
TITLE: Is There a Functional Role for the Knotted Topology in Protein UCH-L1?
AUTHORS: Ferreira, Sara G. F.; Sriramoju, Manoj K.; Hsu, Shang Te Danny; Faisca, Patricia F. N. ; Machuqueiro, Miguel ;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
7
TITLE: pK a Calculations of GPCRs: Understanding Protonation States in Receptor Activation  Full Text
AUTHORS: Barreto, Carlos A. V.; Vitorino, Joao N. M.; Reis, Pedro B. P. S.; Machuqueiro, Miguel ; Moreira, Irina S.;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | CIÊNCIAVITAE
8
TITLE: Arginine Residues Modulate the Membrane Interactions of pHLIP Peptides
AUTHORS: Silva, Tomaas F. D.; Visca, Hannah; Klumpp, Craig; Andreev, Oleg A.; Reshetnyak, Yana K.; Machuqueiro, Miguel ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID | CIÊNCIAVITAE
9
TITLE: Fighting Multidrug Resistance with Ruthenium-Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition  Full Text
AUTHORS: Teixeira, Ricardo G.; Salaroglio, Iris C.; Oliveira, Nuno F. B.; Sequeira, Joao G. N.; Fontrodona, Xavier; Romero, Isabel; Machuqueiro, Miguel ; Tomaz, Ana Isabel ; Garcia, M. Helena; Riganti, Chiara; Valente, Andreia ;
PUBLISHED: 2023, SOURCE: JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 66, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID | CIÊNCIAVITAE
10
TITLE: Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation Domain
AUTHORS: Rodnin, Mykola V.; Vasques Montes, Victor; Kyrychenko, Alexander; Oliveira, Nuno F. B.; Kashipathy, Maithri M.; Battaile, Kevin P.; Douglas, Justin; Lovell, Scott; Machuqueiro, Miguel ; Ladokhin, Alexey S.;
PUBLISHED: 2023, SOURCE: TOXINS, VOLUME: 15, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID | CIÊNCIAVITAE
Page 1 of 12. Total results: 119.

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