Overview

This section will document key technical reports.

Computer Setup

A note on how to setup a computer environment in the Window 10 system (01/14/2025): This guide explains how to set up an Ubuntu system on Windows 10 using Winows Subsystem for Linux (WSL) and configure an Anaconda environment to manage your computing packages effectively. Links: html, ipynb

Molecular Docking

• AutoDock Vina

A note on learning to run AutoDock Vina for beginners (01/16/2025): It has two specfic examples to show how to use the AutoDock Vina and how to use a general script to run the job. Links: html, ipynb

• AlphaFold 3

An example to show how to run AlphaFold 3 for beginners (01/22/2025): It shows how to use the AlphaFold 3 to dock the PFOA molecule into the human serum albumin protein. Links: html, ipynb