Downloads – AutoDock Vina

 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

AutoDock Vina is an open-source program for doing molecular docking. It was originally designed and implemented by Dr. The latest version of AutoDock Vina is v. The image on the left illustrates the results of flexible docking green ftee on the crystal structures of a indinavir, b atorvastatin, c imatinib, and d oseltamivir bound to their respective targets.

Trott, A. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry qutodock Features Accuracy.

AutoDock Vina significantly improves the average accuracy of the binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development. It should be noted that all six of the other docking programs, to which it was compared, are distributed commercially. Binding mode prediction accuracy on the test set. Ease of Use. All that is required is the structures of the molecules being docked and the specification of the autodock vina free for windows 10 space including the binding site.

Calculating grid maps and assigning atom charges autodocm not needed. The summary automatically remains in sync with the possible usage scenarios. Like in AutoDock 4, some receptor side chains can be chosen to be treated as flexible during docking.

AutoDock Vina tends to be faster than AutoDock 4 by orders of magnitude. Some of these projects average over 50 years worth of computation per day. Average time per receptor-ligand pair on the test set. License AutoDock Vina is released under a very permissive Apache license, with few restrictions on commercial or non-commercial use, or on the derivative works. The text of the license can be found here. Eberhardt, D. Santos-Martins, A.

Autodofk, and S. AutoDock Адрес страницы 1. Journal of Chemical Information and Modeling.

Olson, AutoDock Autodock vina free for windows 10 improving the speed and accuracy of docking with a new scoring function, efficient autodock vina free for windows 10 and windowx, Journal of Computational Chemistry 31 Features Accuracy AutoDock Vina significantly improves the average accuracy of windods binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development.

Implementation Quality By design, the results should not have a statistical rree related to the conformation of the input structure. Attention is больше на странице to checking windowa syntactic correctness of the input fog reporting errors to the user autodock vina free for windows 10 a lucid manner.

The invariance of the covalent bond lengths is automatically verified in the output structures. Vina avoids imposing artificial restrictions, such as the number of atoms in the input, the number of torsions, the size of the search читать далее, the exhaustiveness of the search, etc. Flexible Side Chains Like in AutoDock 4, some receptor side chains can be chosen to 6 tutorial free download treated as flexible during docking.

Questions, problems or suggestions? See fdee site. Go to Top. Accuracy AutoDock Vina significantly improves the average accuracy of the binding ccleaner free for 10 64 bit greek predictions compared to AutoDock 4, judging by our autodock vina free for windows 10 on the training set used in AutoDock 4 development.

 
 

 

Tutorial: Installing Autodock Vina on Windows — Bioinformatics Review

 
AutoDock Vina significantly improves the average accuracy of the binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 Features Accuracy. AutoDock Vina significantly improves the average accuracy of the binding mode predictions compared to AutoDock 4, judging by our tests on the training set used in AutoDock 4 development. Published 9 months ago on March 29, The text of the license can be found here.