For those that wish to play with an advanced tool: BioSolveIT have made it easy to get a relevant licence, link on that webpage.
Sent from tiny silly touch screen ________________________________ From: Jurgen Bosch <jxb...@case.edu> Sent: Wednesday, 1 April 2020 16:19 To: Frank Von Delft Cc: CCP4BB@jiscmail.ac.uk Subject: Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight #theBB is too slow :-), Honestly, we probably should have an official CCP4BB Twitter account monitored by a few administrators to post relevant things more publicly - just a thought. Thanks for the update and good to know it’s moving forward fast. I had to renew my license for a software I use for shape complementarity searches, so I have not been able yet to contribute, but I reached out to my MedChem friends and made them aware of it. Even if they can’t synthesize stuff right now because we are mostly shut down, they can use their brains to make suggestions. Jürgen On Apr 1, 2020, at 10:15 AM, Frank von Delft <frank.vonde...@sgc.ox.ac.uk<mailto:frank.vonde...@sgc.ox.ac.uk>> wrote: All - last week's call for compound designs to the CoV-2 main protease (https://covid.postera.ai/covid) elicited an astonishing response... (I confess I was quite taken aback.) I just realised I should let this BB know the second call for designs is now open. Deadline is tomorrow 23:59 PST (April 2nd). (Apologies for those that weren't following on twitter.) Two things: * we're asking for designs especially focusing on covalent inhibitors (read more here<https://discuss.postera.ai/t/screening-cascade-fast-track-and-regular-track-of-designs/567>) * the most convincing designs will be fast-tracked by spending more money to cut several weeks off the testing (read more here<https://discuss.postera.ai/t/screening-cascade-fast-track-and-regular-track-of-designs/567>) Happy designing! Frank ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
