Re: [ccp4bb] AlphaFold: more thinking and less pipetting (?)

[Boaz Shaanan]

Just curious, how does the result of the Phaser run  with the Alphafold model compare with a Phaser run using the Arcimboldo phased model as a probe? Boaz Boaz Shaanan, Ph.D. Department of Life Sciences Ben Gurion University of the Negev Beer Sheva Israel On Dec 4, 2020 00:32, Anastassis Perrakis <a.perra...@nki.nl> wrote: AlphaFold - or similar ideas that will surface up sooner or later - will beyond doubt have major impact. The accuracy it demonstrated compared to others is excellent. “Our” target (T1068) that was not solvable by MR with the homologous search structure or a homology model (it was phased with Archimboldo, rather easily), is easily solvable with the AlphaFold model as a search model. In PHASER I get Rotation Z-score 17.9, translation Z-score 26.0, using defaults. imho what remains to be seen is: a. how and when will a prediction server be available?  b. even if training needs computing that will surely unaccessible to most, will there be code that can be installed in a “reasonable” number of GPUs and how fast will it be? c. how do model quality metrics (that do not compared with the known answer) correlate with the expected RMSD? AlphaFold, no matter how impressive, still gets things wrong. c. will the AI efforts now gear to ligand (fragment?) prediction with similarly impressive performance? Exciting times. A. On 3 Dec 2020, at 21:55, Jon Cooper <0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> wrote: Hello. A quick look suggests that a lot of the test structures were solved by phaser or molrep, suggesting it is a very welcome improvement on homology modelling. It would be interesting to know how it performs with structures of new or uncertain fold, if there are any left these days. Without resorting to jokes about artificial intelligence, I couldn't make that out from the CASP14 website or the many excellent articles that have appeared. Best wishes, Jon Cooper. Sent from ProtonMail mobile -------- Original Message -------- On 3 Dec 2020, 11:17, Isabel Garcia-Saez < isabel.gar...@ibs.fr> wrote: Dear all, Just commenting that after the stunning performance of AlphaFold that uses AI from Google maybe some of us we could dedicate ourselves to the noble art of gardening, baking, doing Chinese Calligraphy, enjoying the clouds pass or everything together (just in case I have already prepared my subscription to Netflix). https://www.nature.com/articles/d41586-020-03348-4 Well, I suppose that we still have the structures of complexes (at the moment). I am wondering how the labs will have access to this technology in the future (would it be for free coming from the company DeepMind - Google?). It seems that they have already published some code. Well, exciting times.  Cheers, Isabel Isabel Garcia-Saez PhD Institut de Biologie Structurale Viral Infection and Cancer Group (VIC)-Cell Division Team 71, Avenue des Martyrs CS 10090 38044 Grenoble Cedex 9 France Tel.: 00 33 (0) 457 42 86 15 e-mail: isabel.gar...@ibs.fr FAX: 00 33 (0) 476 50 18 90 http://www.ibs.fr/ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1