Aaladaha waaweyn waxay horumariyeen kimistariga weyn 2022
Aaladaha xogta aadka u weyn ayaa ka caawiyay saynisyahannadu inay wax ka qabtaan kimistariga miisaanka weyn sanadkan
byAriana Remmel
Credit: Xarunta Xisaabinta Hogaaminta Oak Ridge ee ORNL
Supercomputer-ka Frontier ee Shaybaadhka Qaranka ee Oak Ridge waa kii ugu horreeyay ee mashiinnada jiilka cusub ee ka caawin doona farmashiyeyaashu inay qaataan jilitaanka molecular ee ka adag sidii hore.
Saynis yahannadu waxay sameeyeen sahanno waaweyn oo leh aalado aad u sarreeya sanadka 2022. Iyada oo laga duulayo isbeddelkii dhawaa ee sirdoonka macmalka ah ee tayada kiimikaad leh, cilmi-baarayaashu waxay sameeyeen horumar weyn, iyagoo baray kombuyuutarrada si ay u saadaaliyaan qaab-dhismeedka borotiinka heer aan hore loo arag.Bishii Luulyo, shirkadda Alphabet ee DeepMind ayaa daabacday xog-ururin ka kooban qaab-dhismeedkaku dhawaad dhammaan borotiinada la yaqaan— 200 milyan oo lagu daray borotiinno shaqsiyeed oo ka kala yimid in ka badan 100 milyan oo nooc — sida uu saadaaliyay barashada mashiinka AlphaFold.Kadib, bishii Nofembar, shirkadda teknolojiyadda Meta waxay muujisay horumarkeeda tignoolajiyada saadaasha borotiinka iyadoo la adeegsanayo algorithm AI oo la yiraahdoESMFold.Daraasad horudhac ah oo aan wali dib-u-eegis lagu samayn, cilmi-baarayaasha Meta waxay sheegeen in algorithm-kooda cusub uusan ahayn mid sax ah sida AlphaFold balse uu ka dhakhso badan yahay.Xawaaraha korodhay wuxuu la macno ahaa in cilmi-baarayaashu ay saadaalin karaan 600 milyan oo qaab-dhismeed 2 toddobaad gudahood (bioRxiv 2022, DOI:10.1101/2022.07.20.500902).
Saynisyahano ka tirsan Jaamacadda Washington (UW) Dugsiga Caafimaadka ayaa caawinayabalaadhiyo awoodaha bayoolaji ee kombiyuutarada oo ka baxsan qaabka dabiiciga ahadigoo baraya mishiinada si ay u soo jeediyaan borotiinada laga soo bilaabo eber.UW's David Baker iyo kooxdiisu waxay abuureen qalab cusub oo AI ah kaas oo naqshadayn kara borotiinnada iyaga oo si isdaba joog ah u wanaajinaya dardargelinta fudud ama buuxinta farqiga u dhexeeya qaybaha la doortay ee qaab dhismeedka jira (Sayniska2022, DOI:10.1126/sayniska.abn2100).Kooxdu sidoo kale waxay ka doodeen barnaamij cusub, ProteinMPNN, kaas oo ka bilaabi kara qaababka 3D ee nashqadeeyay iyo isu imaatinka borotiinno badan oo ka dibna go'aaminaya taxanaha amino acid ee loo baahan yahay si looga dhigo si hufan (Sayniska2022, DOI:10.1126/sayniska.add2187;10.1126/sayniska.add1964).Algorithms-yadan biochemical ahaan u yaqaana waxay ka caawin karaan saynisyahannada dhisidda naqshadaha borotiinnada macmalka ah ee loo isticmaali karo biomaterials iyo dawooyinka cusub.
Credit: Ian C. Haydon/UW Institute for Protein Design
Algorithyms-ka barashada mashiinka ayaa ka caawinaya saynisyahannadu inay ku riyoodaan borotiinno cusub oo maskaxda ku haya hawlo gaar ah.
Sida hamiga kimistarada xisaabaadka u koraan, sidaas oo kale kombiyuutarada loo isticmaalo si ay u ekaysiiyaan dunida molecular.Shaybaadhka Qaranka ee Oak Ridge (ORNL), farmashiyeyaashu waxay heleen aragtidii ugu horreysay ee mid ka mid ah kombuyuutarrada ugu awoodda badan ee abid la dhisay.ORNL's Exascale supercomputer, Frontier, waxay ka mid tahay mashiinada ugu horreeya ee xisaabiya in ka badan 1 quintillion hawlgal sabaynaya ilbiriqsikii, waa unug xisaabeed xisaabeed.Xawaaraha xisaabintu waxa uu saddex laab ka dheereeyaa kan difaacanaya, supercomputer Fugaku ee Japan.Sannadka soo socda, laba shaybaarro qaran oo kale ayaa qorsheynaya inay ugu horreeyaan kombuyuutarrada xanafta leh gudaha Mareykanka.Awoodda kombiyuuterka ee mashiinadan casriga ah waxay u oggolaan doontaa farmashiistaha inay ku ekaadaan xitaa hababka molecular ee waaweyn iyo waqtiyo dheer.Xogta laga soo ururiyay moodooyinkaas waxay ka caawin kartaa cilmi-baarayaashu inay riixaan xuduudaha waxa suurtogalka ah ee kimisteriga iyagoo yareynaya farqiga u dhexeeya falcelinta ku jirta galaaska iyo jilitaannada casriga ah ee loo isticmaalo in lagu daydo."Waxaan joognaa heer aan si dhab ah u bilaabi karno inaan weydiinno su'aalo ku saabsan waxa ka maqan hababkayada aragtiyaha ama moodooyinka naga soo dhaweynaya waxa ay tijaabo noo sheegayso inay dhab tahay," Theresa Windus, oo ah farmashiistaha xisaabinta ee Iowa Jaamacadda Gobolka iyo hogaanka mashruuca ee mashruuca Exascale Computing, ayaa u sheegay C&EN Sebtembar.Jilidyada ku shaqeeya kombuyuutarrada xasaradaha ah waxay ka caawin karaan farmashiyeyaasha inay abuuraan ilo shidaal oo cusub oo ay naqshadeeyaan qalab cusub oo cimilada u adkaysta.
Dalka oo dhan, gudaha Menlo Park, California, Shaybaadhka dardargelinta Qaranka ee SLAC ayaa ku rakibayacusboonaysiinta supercool ee Linac Coherent Light Source (LCLS)taasi waxay u oggolaan kartaa farmashiistaha inay si qoto dheer u eegaan adduunka aadka u aadka u sarreeya ee atamka iyo elektarooniga.Xaruntu waxay ku dhisan tahay 3 km toos ah xawaare, qaybo ka mid ah waxaa lagu qaboojiyaa helium dareere ah ilaa 2 K, si loo soo saaro nooc ka mid ah iftiinka aadka u iftiimaya, ilayska aadka u dheereeya ee loo yaqaan X-ray laser free-electron (XFEL).Chemists-ku waxay isticmaaleen garaaca wadnaha xoogga badan ee qalabka si ay u sameeyaan filimaan molecular oo u suurtageliyay inay daawadaan geeddi-socodyo badan, sida curaarta kiimikaad samaynta iyo enzymes-ka photoynthetic ee shaqayn doona."Xilliga labaad ee femtosecond, waxaad arki kartaa atamka oo taagan, hal curaarta atomiga ah oo jabaya," Leora Dresselhaus-Marais, oo ah saynisyahan maaddooyin ah oo balamo wadajir ah ka leh Jaamacadda Stanford iyo SLAC, ayaa u sheegay C&EN bishii Luulyo.Casriyeynta LCLS waxay sidoo kale u oggolaan doontaa saynisyahannadu inay si fiican u hagaajiyaan tamarta raajada marka awoodaha cusub ay noqdaan kuwo la heli karo horraanta sanadka soo socda.
Credit: SLAC National Accelerator Laboratory
Laysarka X-ray ee Shaybaadhka Xawaareeyaha Qaranka ee SLAC wuxuu ku dul dhisan yahay 3 km xawliye toos ah gudaha Menlo Park, California.
Sannadkan, saynisyahannadu waxay sidoo kale arkeen sida uu u awood badan yahay James Webb Space Telescope (JWST) oo muddada dheer la sugayay uu u yeelan karo muujintakakanaanta kiimikada koonkeena.NASA iyo la-hawlgalayaasheeda - Wakaaladda Hawada Yurub, Wakaaladda hawada sare ee Kanada, iyo Machadka Sayniska ee Telescope - waxay mar hore sii daayeen daraasiin sawirro ah, laga soo bilaabo sawirrada quruxda badan ee nebulae-yada ilaa faraha aasaasiga ah ee galaxiyadii hore.Telescope infrared $10 bilyan waxa lagu qurxiyey qaybo ka mid ah qalabka sayniska ee loogu talagalay in lagu baadho taariikhda qoto dheer ee koonkeena.Tobaneeyo sano ee samaynta, JWST waxay mar horeba ka soo baxday filashooyinka injineeradeeda iyada oo sawiraysa sawirka galaxyada wareega sida ay u muuqatay 4.6 bilyan sano ka hor, oo ay ku dhammaystiran yihiin saxeexyada muuqaal ee ogsijiinta, neon, iyo atomiyada kale.Saynis yahanadu waxa kale oo ay cabbireen saxeexyada daruuraha uumiga leh iyo ceeryaamida hawada sare, iyaga oo bixinaya xog ka caawin karta cilmi-baarayaasha astrobiologists in ay raadiyaan adduunyo la degi karo oo ka baxsan dhulka.
Waqtiga boostada: Febraayo-07-2023