These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervized ...
Boron (B), carbon (C), nitrogen (N), and oxygen (O) are elements with atomic numbers 5, 6, 7, and 8, respectively, occupying consecutive positions in the periodic table. As a metalloid, boron ...
The compound allicin, found in garlic, is rich in health benefits. Studies suggest that allicin possesses antibacterial, antifungal, and antiviral properties. It’s postulated that it might even ...
School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 21 Nanyang Link, Singapore 637371, Singapore Key Laboratory of Synthetic and Biological Colloids, ...
Biology+ Joint Research Center, School of Chemical Engineering and Technology, Zhengzhou University, Zhengzhou 450001, China ...
Anti-inflammatory effects and molecular mechanisms of bioactive small molecule garlic polysaccharide
Graphical Abstract. The molecular mechanisms of anti-inflammatory effect of WSGP. Jinxiang garlic was purchased from Jinxiang County Garlic Research Institute (Shandong, China). ELISA kits of IL-6, ...
CMD-GEN is a structure-based framework for selective inhibitor design, combining coarsegrained pharmacophore sampling with generative models to optimize molecular stability, druglikeness ...
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