Instructor: Mr. Jitesh Doshi
Validity Period: Lifetime
About This Course
The role of computers has been undeniably important in today’s science. Discovering new molecules for curing diseases is definitely not an easy science, but demands a large amount of financial, temporal, and highly manual inputs. We definitely are far away from computers alone discovering a new molecule for this purpose, nevertheless, over the years, computers have been helping a great deal in reducing the money, time, and efforts that are to be put in this process. That’s where this new buzzword - CADD or Computer-Aided or Computer-Assisted Drug Discovery is coming into the picture. In this course, we will explore various stages of the drug discovery cycle and understand how computer software helps us at every step to analyze the vast amount of data and take us towards getting the correct molecules to be used as drugs. A plethora of open source and freely available tools will be used to demonstrate the drug discovery process.
Syllabus - What you will learn in this course?
Benefits are you going to get from this course?
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|Before you start|
|List of Tools|
|CADD Software Installation Guide|
|Fill Basic Information - Knowing My Audience|
|Link to all material|
|Introduction to Computer Aided Drug Discovery|
|Exercise 1 - Representation of Molecular Structures|
|Compound Libraries and Screening|
|Exercise 2 - Compound Libraries - PubChem|
|Exercise 3 - Combinatorial Library using SmiLib|
|Exercise 4 - Virtual Screening|
|Target Identification and Protein Structure|
|Protein Structure Visualization and Analysis|
|Exercise 5 - Chimera Visualization|
|Introduction to Mol Docking|
|Molecular Docking with Chimera and ADVina|
|Recording - Session 4|
|Introduction to MDS|
|Ligand Based Drug Discovery|
|More Useful tools in Drug Discovery|
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