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AUTODOCK 4 AUTODOCK VINA
1. Use lga based scoring function. 1. Use local search global optimizer
2. Work on genetic and Lamarckian
algorithm
2. Use Broyden–Fletcher–Goldfarb–
Shanno algorithm.
3. Require multiple steps for execution. 3. Work on single threaded execution
method.
4. Docking score is calculated by default
scoring function.
4. Same
5. We can set lga parameters. 5. Not required.
6. File format input require- .pdb, .pdbqt,
autodock.exe and autogrid.exe binaries.
6. .pdb. .pdbqt, config.txt and vina.exe
required.
7. Output generated- .gpf, .glg, .dpf and
.dlg.
7. grid.txt ,output.pdbqt and log.txt
generated.
REFERENCES:-
1. https://www.mdpi.com/2076-3417/9/21/4538/htm
2. https://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html
3. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3041641/
4. http://vina.scripps.edu/download.html (to download vina)
5. https://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp01555g#!divAbstract
6. https://link.springer.com/article/10.1007%2Fs40484-019-0172-y
7. https://www.researchgate.net/post/What_algorithm_does_Autodock_Vina_use
8. https://youtu.be/k6tqCeDIwEk ( autodock 4 tutorial)
9. https://youtu.be/Sux91FJ3Xe8 , https://youtu.be/vU2aNuP3Y8I ( autodock vina tutorial)
10. http://autodock.scripps.edu/downloads/autodock-registration/autodock-4-2-download-page/ (autodock 4
download)
11. http://mgltools.scripps.edu/ (mgl tools download)

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Autodock and vina

  • 1. AUTODOCK 4 AUTODOCK VINA 1. Use lga based scoring function. 1. Use local search global optimizer 2. Work on genetic and Lamarckian algorithm 2. Use Broyden–Fletcher–Goldfarb– Shanno algorithm. 3. Require multiple steps for execution. 3. Work on single threaded execution method. 4. Docking score is calculated by default scoring function. 4. Same 5. We can set lga parameters. 5. Not required. 6. File format input require- .pdb, .pdbqt, autodock.exe and autogrid.exe binaries. 6. .pdb. .pdbqt, config.txt and vina.exe required. 7. Output generated- .gpf, .glg, .dpf and .dlg. 7. grid.txt ,output.pdbqt and log.txt generated.
  • 2. REFERENCES:- 1. https://www.mdpi.com/2076-3417/9/21/4538/htm 2. https://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/vina/vina.html 3. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3041641/ 4. http://vina.scripps.edu/download.html (to download vina) 5. https://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp01555g#!divAbstract 6. https://link.springer.com/article/10.1007%2Fs40484-019-0172-y 7. https://www.researchgate.net/post/What_algorithm_does_Autodock_Vina_use 8. https://youtu.be/k6tqCeDIwEk ( autodock 4 tutorial) 9. https://youtu.be/Sux91FJ3Xe8 , https://youtu.be/vU2aNuP3Y8I ( autodock vina tutorial) 10. http://autodock.scripps.edu/downloads/autodock-registration/autodock-4-2-download-page/ (autodock 4 download) 11. http://mgltools.scripps.edu/ (mgl tools download)