What does chemoinformatics include?

AutoDock Vina:

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  Source: AutoDock Vina is an open-source molecular docking program developed by the Molecular Graphics Laboratory at The Scripps Research Institute. You can find and download AutoDock Vina from its official website: AutoDock Vina
  

AutoDock (and AutoDock Tools, ADT):

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  Source: AutoDock, developed by the same laboratory as AutoDock Vina, is an earlier version of the software. While not as actively maintained, it's still available for academic and research use. You can access it on the AutoDock website: AutoDock
  

PyRx:

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  Source: PyRx is an open-source virtual screening software that utilizes AutoDock Vina as one of its docking engines. You can download PyRx from its official website: PyRx
  

UCSF Chimera:

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  Source: UCSF Chimera is a versatile molecular modeling program that includes molecular docking capabilities. It's open-source and available for download from the UCSF Chimera website: UCSF Chimera
  

Smina:

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  Source: Smina is an open-source molecular docking program that is compatible with AutoDock Vina's input files and parameters while offering enhanced speed and performance. You can find Smina on GitHub: Smina on GitHub
  

DOCK (UCSF Docking Program):

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  Source: DOCK is an open-source molecular docking software developed by the Shoichet Laboratory at the University of California, San Francisco. You can access DOCK and its documentation on their official website: UCSF DOCK
  

ZDOCK:

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  Source: ZDOCK is a free protein-protein and protein-ligand docking software developed by the Protein-Protein Interaction Group at Boston University. You can download ZDOCK from their official website: ZDOCK
  

Please note that while these programs are free for academic and research use, you should always check their respective licenses and terms of use. Additionally, each program may have its own documentation, tutorials, and community support to help you get started with molecular docking simulations.

One of the most widely used and respected free software packages for molecular dynamics simulations is GROMACS (GROningen MAchine for Chemical Simulations). GROMACS is an open-source molecular dynamics software designed for simulating the behavior of biomolecules, but it can also be applied to a wide range of molecular systems. Here is the official source for GROMACS: