Molecular Dynamic Simulations for Drug Discovery

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What You Will Learn!

Introduction to Molecular dynamic simulations
What is OPLS force field
How to setup the simulation for execution
How to execute the simulation step-by-step
How to analyze the simulation output
How to interpret the simulation output graphs

Description

A perfect course for Bachelors' / Masters' / PhD students who are getting started into computational drug discovery and aware of the In silico drug discovery basics. By the time you complete this course, you will be equipped with the knowledge required to execute molecular dynamic simulations on your own starting from setting up the software to analyzing results.