|The Molecular Graphics Laboratory Forum
|Page 1 of 1|
|Author:||MichelSanner [ Fri Feb 26, 2016 3:03 am ]|
|Post subject:||Software Announcement|
I am happy to announce the release of our newest docking engine: AutoDockFR (ADFR) for docking flexible into receptor with large numbers of flexible receptor side chains.
ADFR has a new Genetic algorithm that has been optimized to handle 12 to 14 flexible receptor side chains while docking flexible ligands. It has recently been published in PLOS (PDF available at http://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1004586).
ADFR comes with AutoGridFR (AGFR) a companion tool facilitating the specification of docking boxes on receptors.
Documentation and installers are available at http://adfr.scripps.edu/indexNew.html
We are in the process of submitting a grant application to continue supporting the development and extension of the ADFR/AGFR tools suite. If you are interested in using these tools we would like to hear from you. Please send email to email@example.com indicating your interest and we will follow up with you promptly as the grant application is due March 5th. Thank you in advance your replies.
|Page 1 of 1||All times are UTC|
|Powered by phpBB® Forum Software © phpBB Group