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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
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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
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3
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
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4
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
INDEXED IN: Scopus WOS CrossRef
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5
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
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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
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7
TITLE: Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domain
AUTHORS: Nuno F.B Oliveira; Alexey S Ladokhin; Miguel Machuqueiro;
PUBLISHED: 2024, SOURCE: Biophysical Journal
INDEXED IN: CrossRef
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TITLE: Synthesis and the In Vitro Evaluation of Antitumor Activity of Novel Thiobenzanilides  Full Text
AUTHORS: Alvaro Martins, Maria Joao; Railean, Violeta; Martins, Filomena; Machuqueiro, Miguel; Pacheco, Rita; Santos, Susana;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 4
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TITLE: MembIT - A Tool to Calculate Solute Membrane Insertions and Deformations in Molecular Dynamics Simulations
AUTHORS: Suzano, Pedro M. S.; Pires, Ines D. S.; Silva, Tomas F. D.; Oliveira, Nuno F. B.; Reis, Pedro B. P. S.; Machuqueiro, Miguel;
PUBLISHED: 2023, SOURCE: JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY, VOLUME: 22, ISSUE: 05
INDEXED IN: Scopus WOS CrossRef: 2
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TITLE: Interfacial Dynamics and Growth Modes of beta(2)-Microglobulin Dimers
AUTHORS: Oliveira, Nuno F. B.; Rodrigues, Filipe E. P.; Vitorino, Joao N. M.; Faisca, Patricia F. N.; Machuqueiro, Miguel;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 14
INDEXED IN: Scopus WOS CrossRef: 2
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