Miguel Ângelo dos Santos Machuqueiro
AuthID: R-000-D71
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
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
2
TITLE: Adding the AMBER 14SB force field to the stochastic titration CpHMD method
AUTHORS: João G N Sequeira; Adrian E Roitberg; Miguel Machuqueiro;
PUBLISHED: 2025
AUTHORS: João G N Sequeira; Adrian E Roitberg; Miguel Machuqueiro;
PUBLISHED: 2025
3
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
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
4
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
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
5
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
AUTHORS: Rodrigues, Filipe E. P.; Darbre, Tamis; Machuqueiro, Miguel;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 64, ISSUE: 8
6
TITLE: PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB
AUTHORS: Reis, Pedro B. P. S.; Clevert, Djork Arne; Machuqueiro, Miguel;
PUBLISHED: 2024, SOURCE: NUCLEIC ACIDS RESEARCH, VOLUME: 52, ISSUE: W1
AUTHORS: Reis, Pedro B. P. S.; Clevert, Djork Arne; Machuqueiro, Miguel;
PUBLISHED: 2024, SOURCE: NUCLEIC ACIDS RESEARCH, VOLUME: 52, ISSUE: W1
7
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
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
8
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
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
9
TITLE: A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II)-cyclopentadienyl compound
AUTHORS: Salaroglio, Iris C.; Stefanova, Denitsa; Teixeira, Ricardo G.; Oliveira, Nuno F. B.; Ahmed, Amer; Fusi, Fabio; Tzankova, Virginia; Yordanov, Yordan; Machuqueiro, Miguel; Saponara, Simona; Valente, Andreia; Riganti, Chiara;
PUBLISHED: 2024, SOURCE: PHARMACOLOGICAL RESEARCH, VOLUME: 208
AUTHORS: Salaroglio, Iris C.; Stefanova, Denitsa; Teixeira, Ricardo G.; Oliveira, Nuno F. B.; Ahmed, Amer; Fusi, Fabio; Tzankova, Virginia; Yordanov, Yordan; Machuqueiro, Miguel; Saponara, Simona; Valente, Andreia; Riganti, Chiara;
PUBLISHED: 2024, SOURCE: PHARMACOLOGICAL RESEARCH, VOLUME: 208
INDEXED IN: 
Scopus 
WOS
Scopus WOS10
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
AUTHORS: Oliveira, Nuno F. B.; Ladokhin, Alexey S.; Machuqueiro, Miguel;
PUBLISHED: 2024, SOURCE: BIOPHYSICAL JOURNAL, VOLUME: 123, ISSUE: 24
