November 2025

Introduction Create R environment and install Seurat using Conda Create an environment for R based single cell transcriptomics analysis (Seurat) Install R Install Seurat package Register interactive R kernel Execute the following command in R to register interactive R kernel. Use JupyterNotebook to execute R

Introduction In this exercise, we will perform a molecular docking simulation using AutoDock Vina to predict the binding orientation of a ligand within the binding site of a receptor protein. Molecular docking explores possible ligand conformations and orientations within a defined region of the receptor. AutoDock Vina evaluates these binding poses using a scoring function