Erica M. Nascimento
Brasilia, DF 70910900, Brazil
Last Updated: 09/26/2026
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Found 17 publications
Molecular modeling and quantum chemical calculation study of derived peptides from a Bowman-Birk inhibitor in complexes with trypsin.
Journal: Journal of molecular modeling
Published: March 28, 2026
NCIVISION: A Siamese Neural Network for Molecular Similarity Prediction MEP and RDG Images.
Journal: Molecules (Basel, Switzerland)
Published: October 10, 2025
Molecular Modeling and Analysis of Cannabinoid and Cannabinoid-like Molecules Combining K-Means Clustering with Pearson Correlation and PCA.
Journal: International journal of molecular sciences
Published: September 26, 2025
Under ONIOM Layers: Analysis of BCR-ABL Enzyme Inhibitors Through Bond-Critical Points and Natural Orbitals.
Journal: Molecules (Basel, Switzerland)
Published: September 17, 2025
Exploring the Structural Design, Antibacterial Activity, and Molecular Docking of Newly Synthesized Zn(II) Complexes with NNO-Donor Carbazate Ligands.
Journal: Molecules (Basel, Switzerland)
Published: June 01, 2025
Docking heparan sulfate-based ligands as a promising inhibitor for SARS-CoV-2.
Journal: Journal of molecular modeling
Published: June 20, 2024
In Silico Molecular Modeling of Four New Afatinib Derived Molecules Targeting the Inhibition of the Mutated Form of BCR-ABL T315I.
Journal: Molecules (Basel, Switzerland)
Published: June 12, 2024
Structural Design, Anticancer Evaluation, and Molecular Docking of Newly Synthesized Ni(II) Complexes with ONS-Donor Dithiocarbazate Ligands.
Journal: Molecules (Basel, Switzerland)
Published: May 15, 2024
Effects of changing ions on the crystal design, non-covalent interactions, antimicrobial activity, and molecular docking of Cu(II) complexes with a pyridoxal-hydrazone ligand.
Journal: Frontiers in chemistry
Published: November 30, 2023
Docking and Electronic Structure of Rutin, Myricetin, and Baicalein Targeting 3CLpro.
Journal: International journal of molecular sciences
Published: August 26, 2023
Crystal Design, Antitumor Activity and Molecular Docking of Novel Palladium(II) and Gold(III) Complexes with a Thiosemicarbazone Ligand.
Journal: International journal of molecular sciences
Published: June 20, 2023
Dithiocarbazate ligands and their Ni(II) complexes with potential biological activity: Structural, antitumor and molecular docking study.
Journal: Frontiers in molecular biosciences
Published: January 17, 2023
Last Updated: 09/26/2026