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Pharmacophore modeling, molecular docking and molecular dynamics simulation for screening and identifying anti-dengue phytocompounds


3D QSAR pharmacophore-based virtual screening for the identification of potential inhibitors of tyrosinase


Modulation of aromatase by natural compounds—A pharmacophore guided molecular modelling simulations

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Pharmacophore-based virtual screening approach for identification of potent natural modulatory compounds of human Toll-like receptor 7


3D-QSAR pharmacophore modelling, virtual screening and docking studies for lead discovery of a novel scaffold for VEGFR 2 inhibitors: Design, synthesis and biological evaluation.


Ligand-based Pharmacophore Modeling, Virtual Screening and Molecular Docking Studies for Discovery of Potential Topoisomerase I Inhibitors


Screening for the selective inhibitors of MMP-9 from natural products based on pharmacophore modeling and molecular docking in combination with bioassay experiment, hybrid QM/MM calculation, and MD simulation


Synthesis, biological evaluation and 3D-QSAR studies of 1,2,4-triazole-5-substituted carboxylic acid bioisosteres as uric acid transporter 1 (URAT1) inhibitors for the treatment of hyperuricemia associated with gout.


Advancement in the development of heterocyclic nucleosides for the treatment of cancer - A review


Evaluation of potential inhibitors of squalene synthase based on virtual screening and in vitro studies


SAR-mediated Similarity Assessment of the Property Profile for New, Silicon-Based AChE/BChE Inhibitors

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