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Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1382512
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The Role of Bond Functions in Describing Intermolecular Electron Correlation for Van der Waals Dimers: A Study of (CH 4) 2 and Ne 2.
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- International Journal of Molecular Sciences, 2024, v. 25, n. 3, p. 1472, doi. 10.3390/ijms25031472
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- Article
Complexity of life sciences in quantum and AI era.
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- WIREs: Computational Molecular Science, 2024, v. 14, n. 1, p. 1, doi. 10.1002/wcms.1701
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- Article
Influenza A virus polymerase acidic protein E23G/K substitutions weaken key baloxavir drug-binding contacts with minimal impact on replication and transmission.
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- PLoS Pathogens, 2022, v. 18, n. 7, p. 1, doi. 10.1371/journal.ppat.1010698
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- Article
Identification of pyrrolo-pyridine derivatives as novel class of antibacterials.
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- Molecular Diversity, 2020, v. 24, n. 1, p. 233, doi. 10.1007/s11030-019-09946-3
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- Article
2-Pyrazol-1-yl-thiazole derivatives as novel highly potent antibacterials.
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- Journal of Antibiotics, 2019, v. 72, n. 11, p. 827, doi. 10.1038/s41429-019-0211-y
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- Article
Identification of Novel Antibacterials Using Machine Learning Techniques.
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- Frontiers in Pharmacology, 2019, p. 1, doi. 10.3389/fphar.2019.00913
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- Article