Before using MOLA for virtual screening some input files preparation steps are necessary (figure 1A) and are described in detail on MOLA tutorial.
For a manuscript submitted after peer-review and revision, the same style guidelines apply, but we require slightly different file preparation – see instructions specific to a revised manuscript.
After processing the CIFs into VRML files using Jmol scripting, additional file preparation steps were added to increase the compatibility of the 3D files across numerous 3D printer software applications and 3D printing services.
Sub-sampling was preferred to bootstrap because of the genetic structure of the panels and the simplicity in file preparation from not having several copies of a given accession.
Basic advice on file preparation is also provided, along with procedural guidance on prospective and retrospective publication of raw clinical data.
For the non-compartmental analysis, data file preparation and statistical analysis was performed with SAS version 8.2 (SAS Institute Inc., Cary, NC, USA).
The procedure can become much less time consuming if an empirical density function is used, coupled with the automation of the input file preparation for preliminary runs and the transdimensional MCMC.
Unlike tools such as COPASI Web Services, Condor-COPASI works as a standalone piece of software, performing all aspects of file preparation, simulation and results processing with a user-friendly interface, requiring minimal user interaction.
A possible way to use the R cloud at EBI to analyse the user's own data is to submit these data to the AE Archive, where the data will remain password protected (simple MAGE-TAB templates can be obtained from www.ebi.ac.uk/arrayexpress, curators will assist in file preparation and validation).
A patent has been filed: "Preparation process and a regenerative method and technique for prevention, treatment and glycemic control of diabetes mellitus using Costus pictus extract" which describes that oral supplementation of C. pictus (500 2000 mg) per day brings down the blood glucose levels in diabetic patients [ 4]; however, no commercial anti-diabetic product is available yet.
