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This course is about structural bioinformatics and its application in computational drug discovery. You will gain knowledge about importance of protein as drug target, the importance of analyzing its structure, and how this can help in discovering a drug that might fight a certain disease. The course is designed for students and professionals seeking an in-depth understanding of the intricate relationship between structure and function in biological macromolecules.Structural bioinformatics plays a pivotal role in unraveling the complexities of biomolecular systems, bridging the gap between experimental data and computational analysis. Throughout this course, participants will delve into the principles and techniques used to study and model the three-dimensional structures of proteins. Topics covered include molecular visualization, structural databases, homology modeling, molecular docking and virtual screening, molecular dynamics simulations, and protein-ligand interactions.Gain hands-on experience with state-of-the-art computational tools and software used in structural bioinformatics analysis.Understand the principles governing protein-ligand binding and explore methods for predicting and analyzing these interactions.Navigate through major structural databases to retrieve and analyze experimentally determined structures.Uncover the dynamic nature of biomolecules through molecular dynamics simulations. Grasp the principles of conformational changes and their implications in understanding biological mechanisms.Embark on a transformative journey into the world of structural bioinformatics and gain the skills to unravel the secrets hidden within the molecular architecture of life. Explore real-world applications by dissecting case studies in drug discovery and development. Understand how structural bioinformatics accelerates the identification of drug targets and the design of novel therapeutics.
Learn what is structural bioinformatics. Get familiar with its applications and the reasons for studying protein 3D structure.
Get to know definition of drug target, its properties and concept of druggability. Learn the role of structural bioinformatics in drug discovery process.
Introduction about protein versatility in structure and function. Learn about the protein building block, the 20 different amino acids and the levels of protein structure.
Outline of the steps that would be covered in the course.
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