Chapters authored
Abiotic and Biotic Factors: Effecting the Growth of Keratinophilic Fungi
Fungi portray an important role in decomposition of keratin, as their activity is tough to measure. According to an estimation, a quantity of cellulose is synthesized by primary producers over photosynthesis and then reinstated to the atmosphere as carbon dioxide and through the activity of fungi, which decompose the complex and inflexible polymer. Without this activity, the world would soon be submerged by plant residues, and this would probably exclude most living organisms from their natural habitat. This chapter deals with several abiotic and biotic factors, which effect the growth of keratinophilic fungus and the substrates, which can serve as potential growth promoters for them.
Part of the book: Fungal Reproduction and Growth
In Silico Docking: Protocols for Computational Exploration of Molecular Interactions
In computational chemistry and drug development, in silico docking has become an indispensable tool for investigating the molecular interactions between ligands and receptors. The procedures and approaches used in in-silico docking to decipher the complex dynamics of molecular binding processes are highlighted in this chapter. The first section of the chapter explains the basic ideas behind molecular docking, focusing on the function of scoring functions and algorithms in ligand-receptor interaction prediction. The benefits and drawbacks of several docking techniques—such as flexible docking, rigid-body docking, and other docking methods—are thoroughly covered. In addition, the challenges associated with conformational flexibility, solvent effects, and ligand desolvation that arise during in-silico docking are explored. Molecular dynamics simulations and ensemble docking techniques are investigated as ways to improve the precision and dependability of docking predictions. Furthermore, using in silico docking in virtual screening, structure-based drug design, and drug discovery highlights how important it is to speed up the drug development process and reduce experimental expenses. A thorough review of in silico docking techniques is given in this chapter, along with an examination of its methodological complexities, theoretical underpinnings, and real-world uses in drug discovery and computational chemistry.
Part of the book: Unravelling Molecular Docking - From Theory to Practice [Working title]