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Design of Hybrid Quinoline-Chalcone Compounds Against <i>Leishmania amazonensis</i> Based on Computational Techniques: 2D- and 3D-QSAR with Experimental Validation. [PDF]
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Structure-Guided Design of Novel Diarylpyrimidine-Based NNRTIs Through a Comprehensive In Silico Approach: 3D-QSAR, ADMET Evaluation, Molecular Docking, and Molecular Dynamics. [PDF]
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Cantharidin-Based Verbenone Derivatives as a Novel Insecticide against Plutella xylostella: Design, Synthesis, Insecticidal Activity Evaluation, and 3D QSAR Study. [PDF]
Biomolecules, 2023 Lee K +7 more
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Molecular Docking Study and 3D-QSAR Model for Trans-Stilbene Derivatives as Ligands of CYP1B1. [PDF]
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2D, 3D-QSAR study and docking of vascular endothelial growth factor receptor 3 (VEGFR3) inhibitors for potential treatment of retinoblastoma. [PDF]
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3D-QSAR Studies of Galanthamine and Analogs [PDF]
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Multitarget inhibition of CDK2, EGFR, and tubulin by phenylindole derivatives: Insights from 3D-QSAR, molecular docking, and dynamics for cancer therapy. [PDF]
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Mechanism of emergency phytoremediation technology based on a 3D-QSAR pharmacological model. [PDF]
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3D-QSAR Studies of 1,2,4-Oxadiazole Derivatives as Sortase A Inhibitors. [PDF]
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