Description:
This course offers an in-depth understanding of the core methods used in computational drug discovery, focusing on virtual screening, molecular docking, and docking complex evaluation. These techniques are vital for identifying potential drug candidates by simulating the interactions between small molecules (ligands) and biological targets (proteins). You will learn how to perform virtual screening to filter through large compound libraries, conduct molecular docking to predict binding affinities, and evaluate docking complexes to assess the accuracy and quality of the predictions. This course provides the necessary skills to utilize these techniques in drug discovery and computational biology.
Learning Outcomes:
By the end of this course, learners will be able to:
Understand the principles and process of virtual screening to identify potential drug candidates.
Perform molecular docking to predict and model interactions between ligands and protein targets.
Evaluate the quality and accuracy of docking complexes to determine the reliability of the predicted interactions.
Apply these techniques to real-world drug discovery projects.