In Vitro Antidiabetic, Anti-Obesity and Antioxidant Analysis of Ocimum basilicum Aerial Biomass and in Silico Molecular Docking Simulations with Alpha-Amylase and Lipase Enzymes [PDF]
Zoy I. Noor+6 more
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Genes Identification, Molecular Docking and Dynamics Simulation Analysis of Laccases from Amylostereum areolatum Provides Molecular Basis of Laccase Bound to Lignin [PDF]
Ningning Fu+4 more
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Application of molecular docking simulation to screening of metal–organic frameworks
Fatemeh Keshavarz, Bernardo Barbiellini
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This study presents a vinyl acetate‐enhanced electroactive polyvinyl chloride gel with low‐voltage deformation, strong electro‐adhesion, and controlled heating. Leveraging these synergistic properties, this work develops soft robots capable of fast locomotion, swarm reconfiguration, and low‐temperature operation (‐50°C).
Chang Wei+11 more
wiley +1 more source
Exploring the potential of 2-arylbenzimidazole scaffolds as novel α-amylase inhibitors: QSAR, molecular docking, simulation and pharmacokinetic studies. [PDF]
Aminu KS+6 more
europepmc +1 more source
3D-QSAR, molecular docking, and dynamics simulation of quinazoline–phosphoramidate mustard conjugates as EGFR inhibitor [PDF]
Ruslin Ruslin+5 more
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This review comprehensively examines the applications of protein three‐dimensional structures and artificial intelligence in investigating drug synergistic and antagonistic effects. The research findings provide compelling evidence for the precision treatment of cancer and metabolic diseases, thereby promoting the development of personalized medicine ...
Anqi Lin+11 more
wiley +1 more source
Quantitative Analysis and Molecular Docking Simulation of Flavonols from Eruca sativa Mill. and Their Effect on Skin Barrier Function. [PDF]
Park J+6 more
europepmc +1 more source
Selective Inhibition of IRE1 Signalling mediated by MKC9989: New Insights from Molecular Docking and Molecular Dynamics Simulations [PDF]
Antonio Carlesso, Leif A. Eriksson
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