Masayendisiti anofumura zvimiro zvakavanzwa zvezvinhu uye biomolecules vachishandisa crystallography uye cryo-electron microscopy (cryo-EM). Nekudaro, sezvo izvi zvirango zvinotarisana nematambudziko anoramba achiwedzera, kudzidza kwemichina kwave mubatsiri akakosha.
Mune ino positi, isu tichatarisa inonakidza mharadzano ye "Nzira dzeMuchina Kudzidza dzeCrystallography uye Cryo-EM." Sangana nesu patinenge tichiongorora shanduko yehungwaru hwekugadzira mukuvhura zvakavanzika zveatomu uye mamorekuru universes.
Chekutanga pane zvese, ini ndinoda kurerutsira mumusoro uye nditaure kuti ndeapi chaizvo mazwi ecrystallography uye Cryo-Em, tozoongororazve kuti kupi. machine learning anouya mumutambo.
Crystallography
Crystallography chidzidzo chekurongeka kwemaatomu mumidziyo yekristaro. Makristasi zvinhu zvikukutu zvinoumbwa nemaatomu akarongwa nenzira inodzokororwa kuita chimiro chakanyatsorongeka.
Nekuda kweichi gadziriro yenguva dzose, zviwanikwa zvine zvimiro uye maitiro akasiyana, zvichiita kuti crystallography ive yakakosha pakunzwisisa zvimiro zvezvinhu zvakawanda.
Masayendisiti anogona kuongorora crystal lattice vachishandisa matekiniki akadai seX-ray diffraction, ichipa ruzivo rwakakosha pazvinzvimbo zveatomu uye kubatana kwekubatana. Crystallography yakakosha muminda yakawanda, kubva pazvinhu sainzi uye chemistry kuenda ku geology uye biology. Inobatsira nekuvandudzwa kwezvinhu zvitsva uye kunzwisisa kwemamineral properties.
Inogona kutotibatsira kunzwisisa zvimiro zvakaomarara zvemamorekuru ehupenyu akadai semapuroteni.
Cryo-EM (Cryo-Electron Microscopy)
Cryo-electron microscopy (Cryo-EM) inyanzvi yekufungidzira tekinoroji inobvumira vaongorori kuona matatu-dimensional zvimiro zvebiomolecules paatomu kana padyo-atomic resolution.
Cryo-EM inochengetedza mabiomolecules ari padyo-echisikigo mamiriro nekukasira kuaomesa nechando mu nitrogen yemvura, kusiyana neyakajairwa electron microscopy, inoda sampuli kuti dzigadziriswe, dzive nemavara, uye dzipererwe mvura.
Izvi zvinodzivirira ice crystal kuumbwa, kuchengetedza biological chimiro. Masayendisiti iye zvino anogona kuona zvakadzama mapuroteni makuru, mavhairasi, uye cellular organelles, zvichipa ruzivo rwakakosha mumabasa avo uye hukama.
Cryo-EM yakashandura structural biology nekubvumira vatsvakurudzi kuti vaongorore zvipenyu zvebhayoloji pamatanho aimbove asingafungidzike eruzivo. Zvishandiso zvaro zvinotangira pakuwanikwa kwezvinodhaka uye kuvandudzwa kwejekiseni kusvika pakunzwisisa hurwere hwemamorekuru hwaro.
Nei Achikosha?
Cryo-EM uye crystallography zvakakosha mukufambisira mberi kunzwisisa kwedu kwechisikigo.
Crystallography inotigonesa kuwana uye kunzwisisa kurongeka kweatomu mumidziyo, ichitibvumira kuvaka makomisheni matsva ane hunhu hwakasiyana hwekushandisa kwakasiyana. Crystallography yakakosha mukuumba tsika yedu yemazuva ano, kubva kumasemiconductors anoshandiswa mumagetsi kusvika kumishonga inoshandiswa kurapa zvirwere.
Cryo-EM, kune rumwe rutivi, inopa maonero anonakidza mune yakaoma nzira yehupenyu. Masayendisiti anowana ruzivo mune akakosha biological maitiro nekuona magadzirirwo ebiomolecules, achivabvumira kugadzira mishonga iri nani, dhizaini yakanangana nekurapa, uye nemazvo kurwisa zvirwere zvinotapukira.
Kufambira mberi kweCryo-EM kunovhura maonero matsva mukurapa, biotechnology, uye kunzwisisa kwedu kwese kwezvivharo zvehupenyu.
Kuvandudza Chimiro Kufanotaura uye Ongororo neMuchina Kudzidza muCrystallography
Kudzidza kwemichina kwave kuchibatsira zvakanyanya mucrystallography, kushandura mafambiro esainzi nekududzira zvimiro zvekristaro.
Algorithms inogona kuburitsa mapatani uye kuwirirana kubva kune akakura dhataseti ezvimiro zvekristaro zvinozivikanwa, zvichibvumira kufanotaura nekukurumidza kwezvimiro zvekristaro zvitsva zvine humbowo husingaenzaniswi.
Semuyenzaniso, Thorn Lab vaongorori vakaratidza kushanda kwemuchina kudzidza mukufanotaura kugadzikana kwekristaro uye simba rekugadzira, ichipa ruzivo rwakakosha mune thermodynamic zvimiro zvemidziyo.
Iyi budiriro haingo kurumidzisa kuwanikwa kwezvinhu zvitsva chete asiwo optimization yezvazvino, zvichiunza nguva itsva yekutsvagisa zvinhu zvine hunhu huri nani uye kushanda.
Mufananidzo: Muenzaniso wechimiro chekristaro chinoratidzwa paMercury software.
Sei Kudzidza Kwemuchina Kunoburitsa Iyo Cryo-EM?
Kudzidza kwemuchina kwakavhura nyika nyowani yezvinobvira mu cryo-electron microscopy (Cryo-EM), ichibvumira masayendisiti kuti aongorore zvakadzama mukuoma kwemaitiro emabiomolecules.
Vatsvagiri vanogona kuongorora mavhoriyamu makuru e cryo-EM data vachishandisa matekinoroji akadai kudzidza zvakadzika, kugadzira patsva modhi yemativi matatu emamorekuru ehupenyu nekujeka kusingaenzaniswi uye nekururama.
Uku kusanganiswa kwekudzidza kwemuchina ne cryo-EM kwakabvumira kufungidzira kwezvimiro zveprotein zvaisambozivikanwa, zvichipa ruzivo rutsva mumabasa avo nehukama.
Iko kusanganiswa kwetekinoroji iyi kune vimbiso huru yekuwanikwa kwezvinodhaka sezvo ichibvumira vaongorori kunyatsonangana nenzvimbo dzinosungirirana, zvichitungamira mukugadzirwa kwemishonga inoshanda yezvirwere zvakasiyana siyana.
Muchina Kudzidza Algorithms yeAccelerating Cryo-EM Data Analysis
Kuferefeta kweCryo-EM kunounza akadzama uye akakura dhataseti, izvo zvinogona kuve zvese chipo uye chituko kune vanotsvaga. Nekudaro, nzira dzekudzidza dzemuchina dzakaratidza kuve dzakakosha mukuongorora kunoshanda uye kududzira kwe cryo-EM data.
Masayendisiti anogona kushandisa nzira dzekudzidza dzisina anotariswa kuti azvionere otomatiki uye kuronga akasiyana mapuroteni zvimiro, kudzikisa nguva-inopedza manyorerwo ekushanda.
Iyi nzira haingo mhanyisa kuongororwa kwedata chete asi zvakare inovandudza zvakawanikwa 'kuvimbika nekubvisa kurerekera kwevanhu mukududzirwa kwe data yakaoma yezvimiro.
Iko kubatanidzwa kwekudzidza muchina muCryo-EM dhata yekuongorora, sezvakaratidzwa mumabasa achangoburwa, inopa nzira yeruzivo rwakadzama rwezvakaoma biology maitiro uye kunyatsoongorora kwehupenyu hwemamorekuru muchina.
Kuenda kune Hybrid Nzira: Kuvhara iyo Yekuyedza-Computation Gap
Kudzidza kwemuchina kune mukana wekuvhara mukaha pakati pekuyedza data uye mamodhiyamu emakomputa mucrystallography uye cryo-EM.
Iko kusanganiswa kwedata rekuyedza uye matekiniki ekudzidza muchina unogonesa kuvandudzwa kwemhando dzekufungidzira, kuvandudza kuvimbika kwekutemerwa kwechimiro uye fungidziro yezvivakwa.
Kufambisa kudzidza, nzira inoshandisa ruzivo rwakadzidzwa munzvimbo imwe kuenda kune imwe, inoratidzika sechishandiso chakakosha chekusimudzira kugona kwecrystallographic uye Cryo-EM kuongorora mune ino mamiriro.
MaHybrid matekiniki, ayo anosanganisa kuyedza ruzivo nehunyanzvi hwekombuta, anomiririra sarudzo yekucheka-cheka kugadzirisa matambudziko esainzi, achivimbisa kushandura maonero atinoita uye kushandura nyika yeatomu nemamorekuru.
Kushandisa Convolutional Neural Networks Kutora Zvimedu muCryo-EM
Nekupa yakakwirira-resolution mifananidzo yemamorekuru ehupenyu, cryo-electron microscopy (Cryo-EM) yakashandura chidzidzo che macromolecular zvimiro.
Nekudaro, kunhonga zvidimbu, izvo zvinosanganisira kuziva uye kubvisa ega ega mapikicha kubva kuCryo-EM micrographs, rave riri basa rinotora nguva uye rakaoma.
Vatsvaguri vakafambira mberi zvakanyanya mukuita otomatiki iyi nzira nekushandisa muchina kudzidza, kunyanya convolutional neural network (CNNs).
DeepPicker uye Topaz-Denoise maviri kudzidza kwakadzika algorithms iyo inogonesa yakazara otomatiki kusarudzwa kwechikamu mu cryo-EM, ichimhanyisa zvakanyanya kugadzirisa uye kuongorora data.
Nzira dzeCNN-based dzave dzakakosha mukumhanyisa Cryo-EM maitiro uye kubvumira vaongorori kuti vatarise kuferefeta kwepamusoro-soro nekuona nemazvo zvimedu zvine hunyanzvi hwepamusoro.
Optimization yeCrystallography Uchishandisa Predictive Modeling
Hunhu hwekusiyanisa dhata uye crystallization mhedzisiro inogona kuve nemhedzisiro yakakura pakugadzwa kwechimiro mu macromolecular crystallography.
Artificial neural network (ANNs) uye kutsigira vector michina (SVMs) yakashandiswa zvinobudirira kukwenenzvera crystallization marongero uye kufanotaura kwekristaro diffraction mhando. Mamodheru ekufembera anogadzirwa nevatsvaguri anobatsira mukugadzira zviedzo uye kuwedzera mwero wekubudirira wekristaro miedzo.
Aya mamodheru anogona kuburitsa mapatani anotungamira kune zvakanaka mhedzisiro nekuongorora mavhoriyamu makuru ecrystallization data, achibatsira vaongorori mukugadzira emhando yepamusoro makristasi kune anotevera X-ray diffraction bvunzo. Nekuda kweizvozvo, kudzidza kwemichina kwave chishandiso chakakosha chekukurumidza uye chakanangwa crystallographic bvunzo.
Kuvandudza Cryo-EM Kuzivikanwa Kwemaitiro
Kunzwisisa chechipiri chimiro chebiological mamorekuru uchishandisa Cryo-EM density mepu kwakakosha pakuona mabasa avo nekudyidzana.
Nzira dzekudzidza dzemuchina, dzinoti dzakadzika kudzidza zvivakwa senge graph convolutional uye inodzokororwa network, yakashandiswa kutsvaga chechipiri chimiro mamepu mu cryo-EM mepu otomatiki.
Idzi nzira dzinoongorora maficha emunzvimbo mumamepu ekuwanda, zvichibvumira kunyatsorongwa kwezvikamu zvechipiri zvezvimiro. Kudzidza kwemichina kunoita kuti vaongorori vaongorore maumbirwo akaomarara emakemikari uye kuwana ruzivo muzviitiko zvavo zvebhayoloji nekuita otomatiki iyi nzira inobata basa.
Mufananidzo: Cryo-EM kugadziridzwa kwechimiro
Crystallography Model Kuvaka uye Kusimbisa Kuwedzera
Kuvaka modhi uye kusimbiswa ndiwo matanho akakosha mune macromolecular crystallography kuvimbisa chimiro chechimiro chechokwadi uye kuvimbika.
Michina yekudzidza matekinoroji senge convolutional autoencoders uye maBayesian modhi akashandiswa kubatsira nekuvandudza maitiro aya. AAnchor, semuenzaniso, inoshandisa CNNs kuziva anchor amino acids muCryo-EM density mepu, iyo inobatsira mukuvandudza modhi.
Bayesian muchina kudzidza modhi akashandiswawo kubatanidza X-ray diffraction data uye kugovera mapoka emuchadenga mudiki mamorekuru maelectron density mepu.
Kufambira mberi uku hakungokurumidzisa kutsunga kwechimiro chete asiwo kunopa ongororo yakawedzera yemhando yemhando, zvichikonzera tsvagiridzo yakasimba uye inogoneka.
Ramangwana Rekudzidza Kwemuchina muStructural Biology
Sezvinoonekwa nenhamba iri kukura yezvinyorwa zvesainzi, kubatanidzwa kwechidzidzo chemuchina mu cryo-EM uye crystallography iri kuramba ichivandudza, ichipa huwandu hwemhinduro nyowani uye maapplication.
Kudzidza kwemuchina kunovimbisa kuenderera mberi nekushandura nharaunda yebhayoloji nekuenderera mberi kwekuvandudzwa kwealgorithms ane simba uye nekuwedzera kwezviwanikwa.
Kubatana pakati pekudzidza kwemuchina uye biology yekumisikidza kuri kugadzira nzira yezviwanikwa uye nzwisiso munyika yeatomu uye mamorekuru, kubva pakukurumidza kugadzwa kwechimiro kusvika pakuwanikwa kwezvinodhaka uye protein engineering.
Tsvagiridzo irikuenderera mberi pamusoro penyaya inonakidza iyi inokurudzira masayendisiti kushandisa simba reAI uye kusunungura zvakavanzika zvezvivharo zvehupenyu.
mhedziso
Kubatanidzwa kwemichina yekudzidza matekinoroji mucrystallography uye cryo-electron microscopy kwakavhura zera idzva muchimiro chebhayoroji.
Kudzidza kwemichina kwakakurumidzisa kukurumidza kwekutsvagisa uye kwakaunza nzwisiso isingaenzaniswi munyika dzeatomu nemamorekuru, kubva pakuita otomatiki mashandiro akaomarara senge kusarudzwa kwechikamu kusvika kunatsiridza kufanofungidzira kwekristaro uye kusiyanisa mhando.
Vatsvagiri vanogona ikozvino kunyatso ongorora mavhoriyamu akakura e data vachishandisa convolutional neural networks uye mamwe maalgorithms epamberi, kufungidzira nekukurumidza zvimiro zvekristaro uye kutora ruzivo rwakakosha kubva kucryo-electron microscopy density mepu.
Zviitiko izvi hazvingokurumidze mashandiro ekuedza chete asiwo zvinobvumira kuti pave neongororo yakadzama yezvimiro zvebhayoloji nemashandiro.
Chekupedzisira, kusanganiswa kwekudzidza kwemuchina uye biology yezvimiro kuri kushandura nzvimbo dzecrystallography uye cryo-electron microscopy.
Pamwe chete, aya matekinoroji ekupedzisira ari kutiswededza pedyo nekunzwisisa kuri nani kweatomu uye mamorekuru enyika, achivimbisa kushandura-shanduko yemitambo mukutsvagisa zvinhu, kuvandudza mishonga, uye michina yakaoma yehupenyu pachayo.
Sezvo isu tichimbundira iyi inonakidza muganho mutsva, remangwana rezvimiro biology rinopenya zvakajeka nemikana isingaperi uye kugona kugadzirisa zvisikwa zvakanyanya kuoma mapuzzle.
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