1. quickstart#

  • depending on your projects, you will need to install a few apps

  • for example, if you mainly work on small molecules:

    • these are links to the apps homepage

:::::{grid} 2

::::{grid-item-card} Drug Discovery/Small Molecule

AutoDock Tools

AutoDock Vina

IQmol

Schrodinger Maestro ::::

::::{grid-item-card} Protein/PDB/Simulation

ChemDraw

ChimeraX

IQmol

VMD :::: :::::

1.1. Suggested Softwares#

:::::{grid} 3

::::{grid-item-card} setup/visualization

Chimera

ChimeraX

IQmol

PyMol

VMD ::::

::::{grid-item-card} Coding in Python

Miniforge3 ::::

::::{grid-item-card} helpful websites

RCSB Protein Data Bank

GitHub

Google Colaboratory

Overleaf :::: :::::