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10-02-12, 09:00 AM
We have collected the experiments into groups, each aimed at a separate paper to be submitted to an open-access journal in the near future.
A - Docking of MalariaBox compounds against the P. fal. proteome (MMV_400) - Exp=A,Ap,1p,2p,4p,6p
B - Using vHTS to find the malarial targets of repurposed drugs (NPC) - Exp=8p-11p
C - FightMalaria@Home – using vHTS to find targets for hit compounds (MMV_full) - Exp=B,Bp,3p,5p,7p,12p-15p
D - FightMalaria@Home update – the effect of flexible active sites on vHTS (all) - Exp=16p-44p E - Using BOINC to identify novel antimalarial compounds (ZINC, CycloPs) - Exp=45p-47p
We have over 4 million results thus far, and % completion is as follows:
A - 78%
B - 20%
C - 1%
D - 0% E - 0%
Progress has slowed as we're now docking larger molecules with more rotatable bonds.
More... (http://boinc.ucd.ie/fmah/forum_thread.php?id=47)
A - Docking of MalariaBox compounds against the P. fal. proteome (MMV_400) - Exp=A,Ap,1p,2p,4p,6p
B - Using vHTS to find the malarial targets of repurposed drugs (NPC) - Exp=8p-11p
C - FightMalaria@Home – using vHTS to find targets for hit compounds (MMV_full) - Exp=B,Bp,3p,5p,7p,12p-15p
D - FightMalaria@Home update – the effect of flexible active sites on vHTS (all) - Exp=16p-44p E - Using BOINC to identify novel antimalarial compounds (ZINC, CycloPs) - Exp=45p-47p
We have over 4 million results thus far, and % completion is as follows:
A - 78%
B - 20%
C - 1%
D - 0% E - 0%
Progress has slowed as we're now docking larger molecules with more rotatable bonds.
More... (http://boinc.ucd.ie/fmah/forum_thread.php?id=47)