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Easy and Effective Method for α-CD:N 2 O Host–Guest Complex Formation.
- Published in:
- International Journal of Molecular Sciences, 2024, v. 25, n. 10, p. 5472, doi. 10.3390/ijms25105472
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- Article
Carbonic Anhydrases: Different Active Sites, Same Metal Selectivity Rules.
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- Molecules, 2024, v. 29, n. 9, p. 1995, doi. 10.3390/molecules29091995
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- Article
In Silico Analysis of the Ga 3+ /Fe 3+ Competition for Binding the Iron-Scavenging Siderophores of P. aeruginosa —Implementation of Three Gallium-Based Complexes in the "Trojan Horse" Antibacterial Strategy.
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- Biomolecules (2218-273X), 2024, v. 14, n. 4, p. 487, doi. 10.3390/biom14040487
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- Article
Inclusion Complexes between β-Cyclodextrin and Gaseous Substances—N 2 O, CO 2 , HCN, NO 2 , SO 2 , CH 4 and CH 3 CH 2 CH 3 : Role of the Host's Cavity Hydration.
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- Inorganics, 2024, v. 12, n. 4, p. 110, doi. 10.3390/inorganics12040110
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- Article
Enhanced Solubility of Ibuprofen by Complexation with β-Cyclodextrin and Citric Acid.
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- Molecules, 2024, v. 29, n. 7, p. 1650, doi. 10.3390/molecules29071650
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- Article
N -Methyl- and N -Phenylpiperazine Functionalized Styryl Dyes Inside Cucurbiturils: Theoretical Assessment of the Factors Governing the Host–Guest Recognition.
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- Molecules, 2023, v. 28, n. 24, p. 8130, doi. 10.3390/molecules28248130
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- Article
Cu + /Ag + Competition in Type I Copper Proteins (T1Cu).
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- Biomolecules (2218-273X), 2023, v. 13, n. 4, p. 681, doi. 10.3390/biom13040681
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- Article
Lanthanides as Calcium Mimetic Species in Calcium-Signaling/Buffering Proteins: The Effect of Lanthanide Type on the Ca 2+ /Ln 3+ Competition.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6297, doi. 10.3390/ijms24076297
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- Article
Metal-Assisted Complexation of Fluorogenic Dyes by Cucurbit[7]uril and Cucurbit[8]uril: A DFT Evaluation of the Key Factors Governing the Host–Guest Recognition.
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- Molecules, 2023, v. 28, n. 4, p. 1540, doi. 10.3390/molecules28041540
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- Article
How Theoretical Evaluations Can Generate Guidelines for Designing/Engineering Metalloproteins with Desired Metal Affinity and Selectivity.
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- Molecules, 2023, v. 28, n. 1, p. 249, doi. 10.3390/molecules28010249
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- Article
Holo-chromodulin: competition between the native Cr3+ and other biogenic cations (Fe3+, Fe2+, Mg2+, and Zn2+) for the binding sites.
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- Metallomics, 2022, v. 14, n. 10, p. 1, doi. 10.1093/mtomcs/mfac082
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- Article
A DFT/PCM Study on the Affinity of Salinomycin to Bind Monovalent Metal Cations.
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- Molecules, 2022, v. 27, n. 2, p. 532, doi. 10.3390/molecules27020532
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- Article
Factors governing the affinity and selectivity of histone deacetylase inhibitors for the HDAC8 enzyme active site: Implications for anticancer therapy.
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- Journal of Physical Organic Chemistry, 2021, v. 34, n. 12, p. 1, doi. 10.1002/poc.4268
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- Article
Ca 2+ /Sr 2+ Selectivity in Calcium-Sensing Receptor (CaSR): Implications for Strontium's Anti-Osteoporosis Effect.
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- Biomolecules (2218-273X), 2021, v. 11, n. 11, p. 1576, doi. 10.3390/biom11111576
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- Article
Strontium Binding to α-Parvalbumin, a Canonical Calcium-Binding Protein of the "EF-Hand" Family.
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- Biomolecules (2218-273X), 2021, v. 11, n. 8, p. 1158, doi. 10.3390/biom11081158
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- Article
Synthesis, Photophysical Characterization, and Sensor Activity of New 1,8-Naphthalimide Derivatives.
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- Sensors (14248220), 2020, v. 20, n. 14, p. 3892, doi. 10.3390/s20143892
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- Article
How mechanical forces can modulate the metal affinity and selectivity of metal binding sites in proteins.
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- Metallomics, 2020, v. 12, n. 3, p. 363, doi. 10.1039/c9mt00283a
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- Article
Competition between abiogenic Al<sup>3+</sup> and native Mg<sup>2+</sup>, Fe<sup>2+</sup> and Zn<sup>2+</sup> ions in protein binding sites: implications for aluminum toxicity.
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- Journal of Molecular Modeling, 2018, v. 24, n. 3, p. 0, doi. 10.1007/s00894-018-3592-0
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- Article
How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent.
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- Scientific Reports, 2017, p. 42377, doi. 10.1038/srep42377
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- Article
How the extra methylene group affects the ligation properties of Glu vs. Asp and Gln vs. Asn amino acids: a DFT/PCM study.
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- Journal of Molecular Modeling, 2017, v. 23, n. 2, p. 1, doi. 10.1007/s00894-017-3233-z
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- Article
Selectivity Mechanism of the Voltage-gated Proton Channel, H<sub>V</sub>1.
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- Scientific Reports, 2015, p. 10320, doi. 10.1038/srep10320
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Quantum-chemistry based calibration of the alkali metal cation series (Li<sup>+</sup>Cs<sup>+</sup>) for large-scale polarizable molecular mechanics/dynamics simulations.
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- Journal of Computational Chemistry, 2015, v. 36, n. 5, p. 285, doi. 10.1002/jcc.23801
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Ion Selectivity in the Selectivity Filters of Acid-Sensing Ion Channels.
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- Scientific Reports, 2015, p. 7864, doi. 10.1038/srep07864
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- Article
Wnt and lithium: a common destiny in the therapy of nervous system pathologies?
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- Cellular & Molecular Life Sciences, 2014, v. 71, n. 7, p. 1123, doi. 10.1007/s00018-013-1378-1
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Creation of intensity theory in vibrational spectroscopy: Key role of ab initio quantum mechanical calculations.
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- International Journal of Quantum Chemistry, 1998, v. 70, n. 2, p. 331, doi. 10.1002/(SICI)1097-461X(1998)70:2<331::AID-QUA9>3.0.CO;2-V
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Predicted Raman Intensities of CH.
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- Journal of Raman Spectroscopy, 1997, v. 28, n. 4, p. 199, doi. 10.1002/(SICI)1097-4555(199704)28:4<199::AID-JRS61>3.0.CO;2-F
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- Article