Published May 25, 2020 | Version v1.0.5-alpha
Software Open

dockME LITE: An Automated Open-Source Solution for Molecular Docking Scientists

  • 1. UnP (Post-Graduate Program in Biotechnology)
  • 2. Potiguar University (Post-Graduate Program in Biotechnology)
  • 3. UnP (Post-Graduate Program in Biotechnology) | Federal University of Paraíba (UFPB)

Description

This software consists in a tool that allows scientist of many biological fields (such as: biotechnology, biology, pharmacology, neurosciences and other biomedical sciences, or any other science that uses this kind of chemical approaches) to have a better usage of the existing open source tools options available. Therefore, we hope this software reaches as much scientists as possible and help them in their duties.

Instead of using command lines, this tool helps users who are having difficulties with the computer language needed to use the tools mentioned above, allowing them to better visualize and optimize their work.

Also, it permits to use a vast number of ligants and proteins without needing of being in front of the computer, by doing one by one command lines!!!! This helps a lot in terms or produtivity!

Devs and advanced users are welcome to give us ideas to enhance it!

Kind Regards.

Files

remullo/dockMe-LiTe-alpha-v1.0.5-alpha.zip

Files (22.3 MB)

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md5:b964ca7539f1f86510889914a646600a
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Additional details

References

  • O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461