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Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions.
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- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 11, p. 943, doi. 10.1007/s10822-019-00248-2
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- Article
An approximation of the Cioslowski-Mixon bond order indexes using the AlteQ approach.
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- Journal of Computer-Aided Molecular Design, 2013, v. 27, n. 9, p. 793, doi. 10.1007/s10822-013-9677-z
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- Article
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
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- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 6, p. 533, doi. 10.1007/s10822-011-9440-2
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- Article
A new paradigm for pattern recognition of drugs.
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- Journal of Computer-Aided Molecular Design, 2008, v. 22, n. 6/7, p. 489, doi. 10.1007/s10822-008-9203-x
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- Article
The Complementarity Principle—One More Step towards Analytical Docking on the Example of Dihydrofolate Reductase Complexes.
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- Life (2075-1729), 2021, v. 11, n. 9, p. 983, doi. 10.3390/life11090983
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- Article
Design, synthesis, and in silico study of hybrid oxoazetidine conjugated thiazoles as anti‐EGFR with cytotoxicity activity.
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- Journal of Biochemical & Molecular Toxicology, 2023, v. 37, n. 4, p. 1, doi. 10.1002/jbt.23295
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- Article
Green Synthesis of Genistein‐Fortified Zinc Ferrite Nanoparticles as a Potent Hepatic Cancer Inhibitor: Validation through Experimental and Computational Studies.
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- Chemistry & Biodiversity, 2023, v. 20, n. 8, p. 1, doi. 10.1002/cbdv.202300719
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- Article
Metal Complexes in Cancer Treatment: Journey So Far.
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- Chemistry & Biodiversity, 2023, v. 20, n. 4, p. 1, doi. 10.1002/cbdv.202300061
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- Article
Cucumis melo var. momordica as a Potent Antidiabetic, Antioxidant and Possible Anticovid Alternative: Investigation through Experimental and Computational Methods.
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- Chemistry & Biodiversity, 2022, v. 19, n. 9, p. 1, doi. 10.1002/cbdv.202200200
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- Article
Facile Access to 2-Selenoxo-1,2,3,4-tetrahydro-4-quinazolinone Scaffolds and Corresponding Diselenides via Cyclization between Methyl Anthranilate and Isoselenocyanates: Synthesis and Structural Features.
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- Molecules, 2022, v. 27, n. 18, p. 5799, doi. 10.3390/molecules27185799
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- Article
Debelalactone Prevents Hepatic Cancer via Diminishing the Inflammatory Response and Oxidative Stress on Male Wistar Rats.
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- Molecules, 2022, v. 27, n. 14, p. N.PAG, doi. 10.3390/molecules27144499
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- Article
Electron Density Analysis of SARS-CoV-2 RNA-Dependent RNA Polymerase Complexes.
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- Molecules, 2021, v. 26, n. 13, p. 3960, doi. 10.3390/molecules26133960
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- Article
Repurposing Based Identification of Novel Inhibitors against MmpS5-MmpL5 Efflux Pump of Mycobacterium smegmatis : A Combined In Silico and In Vitro Study.
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- Biomedicines, 2022, v. 10, n. 2, p. 333, doi. 10.3390/biomedicines10020333
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- Article
2-Pyridylselenenyl versus 2-Pyridyltellurenyl Halides: Symmetrical Chalcogen Bonding in the Solid State and Reactivity towards Nitriles.
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- Symmetry (20738994), 2021, v. 13, n. 12, p. 2350, doi. 10.3390/sym13122350
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- Article
Probing Adsorption of Dipeptides on Anatase in H<sub>2</sub>O and D<sub>2</sub>O: Thermodynamics and Molecular Geometry.
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- ChemPhysChem, 2021, v. 22, n. 24, p. 2550, doi. 10.1002/cphc.202100540
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Design, synthesis, antibacterial evaluation, and computational studies of hybrid oxothiazolidin–1,2,4‐triazole scaffolds.
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- Archiv der Pharmazie, 2021, v. 354, n. 6, p. 1, doi. 10.1002/ardp.202000473
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- Article
The design of compounds with desirable properties – The anti‐HIV case study.
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- Journal of Computational Chemistry, 2023, v. 44, n. 10, p. 1016, doi. 10.1002/jcc.27061
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- Article
Guava Leaf Essential Oil as a Potent Antioxidant and Anticancer Agent: Validated through Experimental and Computational Study.
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- Antioxidants, 2022, v. 11, n. 11, p. 2204, doi. 10.3390/antiox11112204
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- Article
1,2,4‐Triazole‐conjugated 1,3,4‐thiadiazole hybrid scaffolds: A potent ameliorant of carrageenan‐induced inflammation by lessening proinflammatory mediators.
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- Archiv der Pharmazie, 2020, v. 353, n. 1, p. N.PAG, doi. 10.1002/ardp.201900233
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- Article
Quinazoline based 1,3,5‐triazine derivatives as cancer inhibitors by impeding the phosphorylated RET tyrosine kinase pathway: Design, synthesis, docking, and QSAR study.
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- Archiv der Pharmazie, 2019, v. 352, n. 9, p. N.PAG, doi. 10.1002/ardp.201900053
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A systems biology investigation of curcumin potency against TGF-β-induced EMT signaling in lung cancer.
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- 3 Biotech, 2022, v. 12, n. 11, p. 1, doi. 10.1007/s13205-022-03360-7
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- Article
Hybrid Quinazoline 1,3,5‐Triazines as Epidermal Growth Factor Receptor (EGFR) Inhibitors with Anticancer Activity: Design, Synthesis, and Computational Study.
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- ChemMedChem, 2021, v. 16, n. 5, p. 822, doi. 10.1002/cmdc.202000646
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Withasomniferol C, a new potential SARS-CoV-2 main protease inhibitor from the Withania somnifera plant proposed by in silico approaches.
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- PeerJ, 2022, p. 1, doi. 10.7717/peerj.13374
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- Article
Nitrogen Containing Heterocycles as Anticancer Agents: A Medicinal Chemistry Perspective.
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- Pharmaceuticals (14248247), 2023, v. 16, n. 2, p. 299, doi. 10.3390/ph16020299
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Concept of Hybrid Drugs and Recent Advancements in Anticancer Hybrids.
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- Pharmaceuticals (14248247), 2022, v. 15, n. 9, p. N.PAG, doi. 10.3390/ph15091071
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- Article