Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Dowson, Christopher]

I honestly think that University facilities ought to open up ‘safely’ for Covid 
related research and diagnostics

Get Outlook for iOS<https://aka.ms/o0ukef>

From: CCP4 bulletin board  on behalf of Frank von Delft 

Sent: Thursday, April 2, 2020 10:10:03 AM
To: CCP4BB@JISCMAIL.AC.UK 
Subject: Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - 
Thurs midnight

Hi Nick - it is we that thank you all; and apologies for the tight deadlines, 
all I can say is we'd be a bit more thoughtful but CoV-2 is not being 
particularly obliging either...

There will be at least one more round, deadline approximately one week later;  
and we may have additional fragments because Diamond came back up this week, 
just for COVID work.

Speaking of which:  reminder that if you need a synchrotron or cryoEM for COVID 
work, you can put in rapid access proposals - details on Diamond's website.

(I'll stop spamming the list now - thanks for your forebearance.)

Frank



On 02/04/2020 01:01, Nicholas Larsen wrote:
Hi Frank, I thought we were working quickly, but we only just got all of your 
structures uploaded in our Proasis system today and can only now begin analysis 
and design ideas.  I don't know if we will have much of anything by your 
deadline.  Will there be additional design rounds?  Thanks again for making all 
this data available and it really is inspirational what your team is doing to 
confront collaboratively this global crisis.
Best,
Nick

On Wed, Apr 1, 2020 at 10:16 AM Frank von Delft 
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



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Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Frank von Delft]

Hi Nick - it is we that thank you all; and apologies for the tight 
deadlines, all I can say is we'd be a bit more thoughtful but CoV-2 is 
not being particularly obliging either...


There will be at least one more round, deadline approximately one week 
later;  and we may have additional fragments because Diamond came back 
up this week, just for COVID work.


Speaking of which:  reminder that if you need a synchrotron or cryoEM 
for COVID work, you can put in rapid access proposals - details on 
Diamond's website.


(I'll stop spamming the list now - thanks for your forebearance.)

Frank



On 02/04/2020 01:01, Nicholas Larsen wrote:
Hi Frank, I thought we were working quickly, but we only just got all 
of your structures uploaded in our Proasis system today and can only 
now begin analysis and design ideas. I don't know if we will have much 
of anything by your deadline. Will there be additional design rounds?  
Thanks again for making all this data available and it really is 
inspirational what your team is doing to confront collaboratively this 
global crisis.

Best,
Nick

On Wed, Apr 1, 2020 at 10:16 AM Frank von Delft 
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

)
  * the most convincing designs will be fast-tracked by spending
more money to cut several weeks off the testing (read more
here

)

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


[This e-mail message may contain privileged, confidential and/or 
proprietary information of H3 Biomedicine. If you believe that it has 
been sent to you in error, please contact the sender immediately and 
delete the message including any attachments, without copying, using, 
or distributing any of the information contained therein. This e-mail 
message should not be interpreted to include a digital or electronic 
signature that can be used to authenticate an agreement, contract or 
other legal document, nor to reflect an intention to be bound to any 
legally-binding agreement or contract.]





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Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Nicholas Larsen]

Hi Frank, I thought we were working quickly, but we only just got all of
your structures uploaded in our Proasis system today and can only now begin
analysis and design ideas.  I don't know if we will have much of anything
by your deadline.  Will there be additional design rounds?  Thanks again
for making all this data available and it really is inspirational what your
team is doing to confront collaboratively this global crisis.
Best,
Nick

On Wed, Apr 1, 2020 at 10:16 AM Frank von Delft 
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
>
> 
>)
>- the most convincing designs will be fast-tracked by spending more
>money to cut several weeks off the testing (read more here
>
> 
>)
>
> 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
>

-- 
[This e-mail message may contain privileged, confidential and/or 
proprietary information of H3 Biomedicine. If you believe that it has been 
sent to you in error, please contact the sender immediately and delete the 
message including any attachments, without copying, using, or distributing 
any of the information contained therein. This e-mail message should not be 
interpreted to include a digital or electronic signature that can be used 
to authenticate an agreement, contract or other legal document, nor to 
reflect an intention to be bound to any legally-binding agreement or 
contract.]



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Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Frank Von Delft]

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 
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 
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




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Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Tim Gruene]

Dear Jurgen,

https://lmgtfy.com/?q=ccp4+twitter

do you need more?

Best,
Tim

On Wednesday, April 1, 2020 5:19:13 PM CEST Jurgen Bosch wrote:
> #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 
> > 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
> >  > ack-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
> >  > ack-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

-- 
--
Tim Gruene
Head of the Centre for X-ray Structure Analysis
Faculty of Chemistry
University of Vienna

Phone: +43-1-4277-70202

GPG Key ID = A46BEE1A



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Re: [ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Jurgen Bosch]

#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  
> 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 
> )
> the most convincing designs will be fast-tracked by spending more money to 
> cut several weeks off the testing (read more here 
> )
> 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 
> 



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[ccp4bb] COVID-19 protease inhibitors - 2nd call for designs - Thurs midnight

[Frank von Delft]

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
   
)
 * the most convincing designs will be fast-tracked by spending more
   money to cut several weeks off the testing (read more here
   
)

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