[ccp4bb] PhD position in the MoSMed CDT at Durham University and the CCCD

2023-07-13 Thread POHL, EHMKE
Dear Crystallographic community there is still time to apply for our latest PhD position on the development of new algorithms and molecules for PROTACS drugs. This is a fully-funded 4-year PhD at Durham University together with the Cambridge Crystallographic Data Center (CCDC) as part of our EP

[ccp4bb] Post-doctoral position in biological cryoEM software development

2023-07-13 Thread Chaban, Yuriy (DLSLtd,RAL,LSCI)
Dear community, Electron Bio-Imaging Centre at Diamond Light Source Ltd has a postdoctoral position available for development of novel concepts and software tools for cryo-Electron Microscopy data analysis. If you have a PhD or equivalent in mathematics, computational sciences, physics, biophys

Re: [ccp4bb] AI and cis-peptides

2023-07-13 Thread Pietro Roversi
Yes - our CASP15 target H1157 contained intramolecular and inter-molecular SS bonds - the former were well predicted but the latter were not: https://predictioncenter.org/casp15/multimer_results.cgi?target=H1157 The article discussing this aspect (as well a few other CASP15 targets) is at the

Re: [ccp4bb] AI and cis-peptides

2023-07-13 Thread David Briggs
This is very much anecdotal - in my experience, AF2 tends to put the Cys residues in the disulfide bridge adjacent to each other, sometimes with roughly the correct side chain orientation. It doesn't build/refine the S-S bond, becuase I don't think it knows how to. Best, Dave Dr David C. Br

Re: [ccp4bb] AI and cis-peptides

2023-07-13 Thread Guillaume Gaullier
Interesting. Has someone similarly looked at whether AlphaFold predicts disulfide bridges? Guillaume On 13 Jul 2023, at 15:12, Randy John Read mailto:rj...@cam.ac.uk>> wrote: I’m not sure about other methods, but AlphaFold does predict peptides in both cis and trans configurations. In a rece

Re: [ccp4bb] AI and cis-peptides

2023-07-13 Thread Randy John Read
I’m not sure about other methods, but AlphaFold does predict peptides in both cis and trans configurations. In a recent paper, Osnat Herzberg and John Moult show that it was pretty successful in predicting proline cis-peptides, among the novel structures in the CASP15 set of targets (https://ww

[ccp4bb] AI and cis-peptides

2023-07-13 Thread Oliviero Carugo
Does anybody know if cis-peptides are predicted by the AI tools (AlphaFold2, ColabFold, or ESM-2)? To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB