Affiliation:
1. Earth System Science Organization-National Institute of Ocean Technology (ESSO-NIOT), Ministry of Earth Sciences, Govt. of India, India
Abstract
Computational tools have extended their reach into different realms of scientific research. Often coupled with molecular dynamics simulation, docking provides comprehensive insight into molecular mechanisms of biological processes. Influence of molecular docking is highly experienced in the field of structure based drug discovery, wherein docking is vital in validating novel lead compounds. The significance of molecular docking is also understood in several environmental and industrial research, in order to untangle the interactions among macromolecules of non-medical interest. Various processes such as bioremediation (REMEDIDOCK), nanomaterial interactions (NANODOCK), nutraceutical interactions (NUTRADOCK), fatty acid biosynthesis (FADOCK), and antifoulers interactions (FOULDOCK) find the application of molecular docking. This chapter emphasizes the involvement of computational techniques in the aforementioned fields to expand our knowledge on macromolecular interacting mechanisms.
Reference100 articles.
1. Urokinase overproduction results in increased skeletal metastasis by prostate cancer cells in vivo.;A.Achbarou;Cancer Research,1994
2. Ahmad, A., Sayed, A., Ginnebaugh, K. R., Sharma, V., Suri, A., Saraph, A., . . . Sarkar, F. H. (2015). Molecular docking and inhibition of matrix metalloproteinase-2 by novel difluorinatedbenzylidene curcumin analog. American Journal of Translational Research, 7(2), 298.
3. Anti-biofilm activity ofSalvadora persicaon cariogenic isolates ofStreptococcus mutans:in vitroand molecular docking studies
4. The effects of a serine protease, Alcalase®, on the adhesives of barnacle cyprids (Balanus amphitrite)
5. Evolution of Enzymes in Metabolism: A Network Perspective
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献