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Computational methods for calculation of protein-ligand binding affinities in structure-based drug design.
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- Physical Sciences Reviews, 2022, v. 7, n. 9, p. 933, doi. 10.1515/psr-2020-0034
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Weak intermolecular interactions in a series of biologically active 4′‐methylthio‐trans‐stilbenes.
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- Acta Crystallographica Section C: Structural Chemistry, 2022, v. 78, n. 2, p. 107, doi. 10.1107/S2053229622000420
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- Article
Two new polymorphic forms of combretastatin A‐4, an antitumour agent.
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- Acta Crystallographica Section C: Structural Chemistry, 2020, v. 76, n. 10, p. 958, doi. 10.1107/S205322962001236X
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- Article
Synthesis, biological evaluation and docking studies of trans-stilbene methylthio derivatives as cytochromes P450 family 1 inhibitors.
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- Chemical Biology & Drug Design, 2017, v. 90, n. 6, p. 1226, doi. 10.1111/cbdd.13042
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Polymorphism of Butyl Ester of Oleanolic Acid—The Dominance of Dispersive Interactions over Electrostatic.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 7, p. 6572, doi. 10.3390/ijms24076572
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- Article
Structure-Based Drug Design for Cytochrome P450 Family 1 Inhibitors.
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- Bioinorganic Chemistry & Applications, 2018, p. 1, doi. 10.1155/2018/3924608
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- Article
Magnesium(II) Porphyrazine with Thiophenylmethylene Groups-Synthesis, Electrochemical Characterization, UV–Visible Titration with Palladium Ions, and Density Functional Theory Calculations.
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- Molecules, 2024, v. 29, n. 15, p. 3610, doi. 10.3390/molecules29153610
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Comparative Analysis of Acyclovir Esters Stability in Solutions: The Influence of the Substituent Structure, Kinetics, and Steric Effects.
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- International Journal of Chemical Kinetics, 2015, v. 47, n. 11, p. 724, doi. 10.1002/kin.20943
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Special Issue of "Synthesis, Biological Evaluation and Molecular Modeling of Enzyme Inhibitors".
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- Processes, 2023, v. 11, n. 11, p. 3128, doi. 10.3390/pr11113128
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New Perspectives of CYP1B1 Inhibitors in the Light of Molecular Studies.
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- Processes, 2021, v. 9, n. 5, p. 817, doi. 10.3390/pr9050817
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- Article
Hydration and Structural Adaptations of the Human CYP1A1, CYP1A2, and CYP1B1 Active Sites by Molecular Dynamics Simulations.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 14, p. 11481, doi. 10.3390/ijms241411481
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