Certainly you can still also use FlexX4 on the command line. Also, please get in touch with us about putting FlexX4 in the cloud. Thanks to the careful engineering this is now an option too!
Outstanding with FlexX4 is:
Several years ago, docking software has been benchmarked up and down. Only one thing became absolutely certain, the performance entirely depends on the target. No clear winner — one docker has its advantages here another one there. I.e. FlexX4 complements your portfolio it is no extra burden but pure added value. Read on here for numerous success stories.
The successful FlexX docking-algorithm is still in use and has been further improved; however, the code has been completely re-written. It runs in parallel now and automatically uses all cores of your computer. Also the protein preparation is now fully automatic — you only provide a PDB and a reference compound (to determine the location of the active site). Also new/added is the template-, or MCS-based docking (cf. above).
FlexX4 runs multi-threaded using all CPUs on your computer. On a typical PC with 8 cores screening 1000 molecules takes less than 1 hour. Searching in congeneric series — using the novel template-docking is yet faster. Literally thousands of molecules can be searched in 5 minutes. Fast enough?
In publications please cite FlexX with the respective version number as follows:
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