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Curcumin Delivery Systems: From Importance and Microencapsulation Techniques to Molecular Docking and Dynamics for Rational Formulation Design. [PDF]
Top Curr Chem (Cham)Crețu R +4 more
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Protective effects of Zingiber officinale Roscoe in obstetric antiphospholipid syndrome based on systems pharmacology and molecular docking. [PDF]
Medicine (Baltimore)Du B +5 more
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discovery and molecular design. Docking simulations enable the prediction of ligand–protein interactions, binding affinities, and conformational orientations at the molecular level, supporting the identification of potent bioactive compounds prior to synthesis.
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Applying molecular docking to pesticides
Pest Management Science, 2023AbstractPesticide creation is related to the development of sustainable agricultural and ecological safety, and molecular docking technology can effectively help in pesticide innovation. This paper introduces the basic theory behind molecular docking, pesticide databases, and docking software.
Hongliang Xu
exaly +3 more sources
Parallelization of Molecular Docking: A Review
Current Topics in Medicinal Chemistry, 2018Molecular docking, as one of the widely used virtual screening methods, aims to predict the binding-conformations of small molecule ligands to the appropriate target binding site. Because of the computational complexity and the arrival of the big data era, molecular docking requests High- Performance Computing (HPC) to improve its performance and ...
Wu Zhong, Zhijian Xu, Shaoliang Peng
exaly +3 more sources