Background In recent years, since the molecular docking technique can greatly improve the
efficiency and reduce the research cost, it has become a key tool in computer-assisted drug …

Deep learning, which is especially formidable in handling big data, has achieved great
success in various fields, including bioinformatics. With the advances of the big data era in …

Docking techniques in pharmacology: How much promising? - ScienceDirect Skip to main
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Microplastics, an emerging pollutant in the environment, have attracted extensive attention
in recent years for their possible negative impact on organisms. However, direct and indirect …

Increasing numbers of protein interactions have been identified in high-throughput
experiments, but only a small proportion have solved structures. Recently, sequence …

DNA-binding proteins play a very important role in the structural composition of the DNA. In
addition, they regulate and effect various cellular processes like transcription, DNA …

Quantum chemical computations and in silico biological evaluation of three substituted
thiourea derivatives namely (4-nitrophenyl) thiourea (NPT),(3, 5-dimethylphenyl) thiourea …

DNA-binding proteins (DBPs) participate in various biological processes including DNA
replication, recombination, and repair. In the human genome, about 6–7% of these proteins …

In silico molecular docking is an efficient technique for drug design that predicts the
optimized orientation of the ligand against a specific drug target. This is a cost-effective and …

Plants exhibit a vast array of sesquiterpenes, C15 hydrocarbons which often function as
herbivore-repellents or pollinator-attractants. These in turn are produced by a diverse range …