We are glad to announce the fourth target, corona_RdRp_v1. This molecule is frequently used in research studies as a potential target to inhibit viral replication. Specifically, it is SARS-CoV-2 RNA-dependent RNA polymerase (RdRp in short), an enzyme which coronavirus SARS-CoV-2 uses for the replication of its genome and the transcription of its genes.

Thanks Natalia
Just for curiosity, all 4 targets (and next one) have the same WU number to crunch?
Do you have an estimate of the number?

Have yet to spot one in the wild...

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Thanks Natalia
Just for curiosity, all 4 targets (and next one) have the same WU number to crunch?
Do you have an estimate of the number?

Yes, they are docked against the library of ~1 billion compounds. Now we have quorum 2, so about 2 billion WUs.

Yes, they are docked against the library of ~1 billion compounds. Now we have quorum 2, so about 2 billion WUs.

1 billion wu each target? WOW

Yes, they are docked against the library of ~1 billion compounds. Now we have quorum 2, so about 2 billion WUs.

Sorry to correct you Natalia.

1 billion compounds make 2 million workunits of 500 compounds each times quorum 2 makes 4 milllion tasks.

Yes, they are docked against the library of ~1 billion compounds. Now we have quorum 2, so about 2 billion WUs.

Sorry to correct you Natalia.

1 billion compounds make 2 million workunits of 500 compounds each times quorum 2 makes 4 milllion tasks.

You are right! :) I overestimated our power :)

Is there an ETA for when the fourth target jobs will be available?

Bump.

Dear SiDock@Home supporters,

the 4th target will soon be in use ;-). In the first three sessions of the project (the first three targets), we have produced a large amount of data (tens of TB) . Working with BIG data is a great challenge for us, without your help we would not have been able to study a large part of the chemical space. The big data we produced together is a very big treasure for us.

I would like to take this opportunity to thank all the supporters who donate their computing power to help us in the project to fight SARS-CoV-2. We hope to find at least some promising compounds in the project that are suitable for the development of inhibitors of processes that are crucial for the functioning of the virus.

Crtomir

Thank you for the update. But I have been wondering, what is next?
After you find promising candidates, do you do in vitro lab tests yourself, or publish the results for others to use?

Or perhaps you do more in-house screening to eliminate false positives?

Hi folks!

We start to generate first batches of workunits for corona_RdRp_v1 target. First batches are small, after its completion - we switch no normal mode of tasks generation.

Thank you!

I would like to take this opportunity to thank all the supporters who donate their computing power to help us in the project to fight SARS-CoV-2. We hope to find at least some promising compounds in the project that are suitable for the development of inhibitors of processes that are crucial for the functioning of the virus.
Crtomir

It's certainly my pleasure to support your work. There will be a great need for Coronavirus therapeutics for years to come.

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Will there be RxDock workunits?

Paul.

Hello Paul!

Will there be RxDock workunits?

We generate a new set of RxDock tasks (about 40 000 workunits), but presumably, it will be last bunch of RxDock workunits.

On server_status.php, completion status of corona_RdRp_v1 dropped from almost 100 % to 48.7 %. Just a mistake, or did plans for this target change?

Hi xii5ku!

On server_status.php, completion status of corona_RdRp_v1 dropped from almost 100 % to 48.7 %. Just a mistake, or did plans for this target change?

I archive data from project database and did not mark it in the corresponding table, used for showing the progress. Now corrected. :)