{"id":1751,"date":"2025-02-25T10:12:39","date_gmt":"2025-02-25T01:12:39","guid":{"rendered":"https:\/\/neuron.catholic.ac.kr\/?p=1751"},"modified":"2025-02-25T10:27:23","modified_gmt":"2025-02-25T01:27:23","slug":"alphafold-3%ec%9d%98-%ed%95%9c%ea%b3%84-%eb%b0%8f-%eb%8c%80%ec%95%88","status":"publish","type":"post","link":"https:\/\/neuron.catholic.ac.kr\/?p=1751","title":{"rendered":"AlphaFold 3\uc758 \ud55c\uacc4 \ubc0f \ub300\uc548"},"content":{"rendered":"\n<h3 class=\"wp-block-heading\">AlphaFold 3(AF3)\uc758 \ud55c\uacc4<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li>\ubd84\uc790\uc758 <strong>\uac70\uc6b8\uc0c1 \uc774\uc131\uc9c8\uccb4\uc131(chirality)\uc744 \uc815\ud655\ud788 \uc608\uce21\ud558\uc9c0 \ubabb\ud568<\/strong>.<\/li>\n\n\n\n<li><strong>\uc815\uc801\uc778 \uad6c\uc870\ub9cc \uc608\uce21<\/strong>\ud558\uba70, \uacb0\ud569 \uc2dc\uc758 <strong>\uad6c\uc870\uc801 \ubcc0\ud654(conformational changes)\ub97c \ubc18\uc601\ud558\uc9c0 \ubabb\ud568<\/strong>.<\/li>\n\n\n\n<li>\ube44\uc815\ud615 \ub2e8\ubc31\uc9c8(disordered proteins)\uc5d0\uc11c <strong>\ube44\ud604\uc2e4\uc801\uc778 \uad6c\uc870(hallucination)\uac00 \ubc1c\uc0dd<\/strong>\ud568.<\/li>\n<\/ul>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>\ub300\uc548 1: DiffDock<\/strong><\/h3>\n\n\n\n<p><strong>DiffDock<\/strong>\uc740 <strong>MIT\uc758 Tommi Jaakkola \uc5f0\uad6c\uc2e4<\/strong>\uc5d0\uc11c \uac1c\ubc1c\ud55c <strong>\uc0dd\uc131\ud615(diffusion) \ubaa8\ub378\uc744 \ud65c\uc6a9\ud55c \ub2e8\ubc31\uc9c8-\ub9ac\uac04\ub4dc \ub3c4\ud0b9 \uae30\ubc95<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li>\uae30\uc874\uc758 EquiBind \ubc0f TANKBind\ubcf4\ub2e4 \ubc1c\uc804\ub41c \ubaa8\ub378\uc774\uba70, <strong>\ubb3c\ub9ac\uc801 \uc81c\uc57d\uc744 \uace0\ub824\ud558\uc5ec \uc815\ud655\ub3c4\ub97c \ub192\uc784<\/strong>.<\/li>\n\n\n\n<li>\uae30\uc874 \ub525\ub7ec\ub2dd \ub3c4\ud0b9 \ubaa8\ub378\ubcf4\ub2e4 <strong>\ub354 \uc801\uc740 \uc6d0\uc790 \ucda9\ub3cc(steric clashes)\uc744 \ubc1c\uc0dd\uc2dc\ud0b4<\/strong> (EquiBind: 26%, TANKBind: 6.6%, DiffDock: 3% \ubbf8\ub9cc).<\/li>\n\n\n\n<li><strong>DiffDock-L<\/strong> \ubaa8\ub378\uc5d0\uc11c\ub294 <strong>&#8220;\uc2e0\ub8b0 \ubd80\ud2b8\uc2a4\ud2b8\ub798\ud551(confidence bootstrapping)&#8221;<\/strong> \uae30\ubc95\uc744 \ub3c4\uc785\ud558\uc5ec \uc131\uacf5\ub960\uc744 38% \u2192 50%\uae4c\uc9c0 \uc99d\uac00\uc2dc\ud0b4.<\/li>\n<\/ul>\n\n\n\n<p>DiffDock\uc758 \ud575\uc2ec\uc740 <strong>\ub9ac\uac04\ub4dc\uac00 \uacb0\ud569\ud558\ub294 \uacfc\uc815\uc5d0\uc11c \ub2e8\ubc31\uc9c8\uc774 \ub3d9\uc801\uc73c\ub85c \ubcc0\ud615\ub418\ub294 \uac83\uc744 \uace0\ub824\ud568<\/strong>. \uadf8\ub7ec\ub098 \uc5ec\uc804\ud788 AlphaFold 3\uc758 \uc815\ud655\ub3c4\uc5d0\ub294 \ubbf8\uce58\uc9c0 \ubabb\ud568.<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>\ub300\uc548 2: NeuralPlexer 2<\/strong><\/h3>\n\n\n\n<p><strong>NeuralPlexer\ub294 2024\ub144 4\uc6d4 Nature Methods\uc5d0 \ubc1c\ud45c\ub41c \ucd5c\uc2e0 \ubaa8\ub378<\/strong>\ub85c, AlphaFold 2\ubcf4\ub2e4 \ub2e4\uc74c\uacfc \uac19\uc740 <strong>\uc7a5\uc810\uc744 \uac00\uc9d0<\/strong>:<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>\uc815\ud655\ud55c \ub2e8\ubc31\uc9c8 \uacb0\ud569 \uc720\ub3c4 \uad6c\uc870 \uc608\uce21 \uac00\ub2a5<\/strong>.<\/li>\n\n\n\n<li><strong>\uc790\uc720 \ub2e8\ubc31\uc9c8(apo)\uacfc \uacb0\ud569\ub41c \uc0c1\ud0dc(bound) \ubaa8\ub450 \uc608\uce21<\/strong>.<\/li>\n\n\n\n<li><strong>AlphaFold 2\ubcf4\ub2e4 \uacb0\ud569 \uc720\ub3c4 \uad6c\uc870 \ubcc0\ud654\ub97c \ub354 \uc798 \ubc18\uc601<\/strong>.<\/li>\n\n\n\n<li><strong>\ucf54\ub4dc\uac00 \uc624\ud508 \uc18c\uc2a4\ub85c \uc81c\uacf5\ub428<\/strong>(BSD-3 \ub77c\uc774\uc120\uc2a4), \uc989 <strong>\uc0c1\uc5c5\uc801 \uc0ac\uc6a9 \uac00\ub2a5<\/strong>.<\/li>\n<\/ul>\n\n\n\n<p>NeuralPlexer\uc758 \ud575\uc2ec\uc740 <strong>&#8220;\ub4f1\ubcc0 \uc2e0\uacbd\ub9dd(equivariant neural network)&#8221;<\/strong>\uacfc <strong>&#8220;\ud655\uc0b0 \ubaa8\ub378(diffusion model)&#8221;<\/strong>\uc744 \uc870\ud569\ud558\uc5ec, <strong>\uacb0\ud569 \uc720\ub3c4 \uad6c\uc870 \ubcc0\ud654\ub97c \ubc18\uc601\ud560 \uc218 \uc788\ub3c4\ub85d \uc124\uacc4\ub428<\/strong>.<\/p>\n\n\n\n<p>2024\ub144 2\uc6d4 \ubc1c\ud45c\ub41c NeuralPlexer 2\ub294 \ub2e4\uc74c\uacfc \uac19\uc740 \ud5a5\uc0c1\ub41c \uae30\ub2a5\uc744 \ud3ec\ud568:<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>\uba54\ubaa8\ub9ac \ucd5c\uc801\ud654 \ubc0f \ud558\ub4dc\uc6e8\uc5b4 \uac00\uc18d \uc801\uc6a9<\/strong> \u2192 <strong>AlphaFold\ubcf4\ub2e4 50\ubc30 \ube60\ub978 \uc18d\ub3c4<\/strong>.<\/li>\n\n\n\n<li><strong>\ub2e8\ubc31\uc9c8-\ud575\uc0b0 \uc0c1\ud638\uc791\uc6a9 \ubc0f PTM(\ubc88\uc5ed \ud6c4 \ubcc0\ud615) \uace0\ub824 \uac00\ub2a5<\/strong>.<\/li>\n\n\n\n<li><strong>\uc131\uacf5\ub960 \uc99d\uac00: 54.9%(\uc77c\ubc18 \ub9ac\uac04\ub4dc \uacb0\ud569) ~ 76.8%(\ud3ec\ucf13 \uc794\uae30 \uc9c0\uc815 \uc2dc)<\/strong>.<\/li>\n<\/ul>\n\n\n\n<p>NeuralPlexer 2\ub294 \ud604\uc7ac <strong>\uc0c1\uc5c5\uc801 \ub2e8\ubc31\uc9c8-\ub9ac\uac04\ub4dc \ubcf5\ud569\uccb4 \uc608\uce21\uc5d0\uc11c \uac00\uc7a5 \uac15\ub825\ud55c \ub300\uc548<\/strong>\uc784.<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>\ub300\uc548 3: DynamicBind<\/strong><\/h3>\n\n\n\n<p><strong>DynamicBind\ub294 2024\ub144 2\uc6d4 Nature Communications\uc5d0 \ubc1c\ud45c\ub41c \uc0c8\ub85c\uc6b4 \ubaa8\ub378<\/strong>\ub85c, <strong>NeuralPlexer\uc640 \uc720\uc0ac\ud55c \uc0dd\uc131\ud615 \ubaa8\ub378\uc744 \uc0ac\uc6a9<\/strong>\ud558\uc9c0\ub9cc, \ub2e4\uc74c\uacfc \uac19\uc740 \ucc28\uc774\uc810\uc774 \uc788\uc74c:<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>\ub9ac\uac04\ub4dc\ub97c \uc810\uc9c4\uc801\uc73c\ub85c \uc774\ub3d9\/\ud68c\uc804\uc2dc\ucf1c \ub2e8\ubc31\uc9c8\uacfc\uc758 \uacb0\ud569 \uacfc\uc815\uc744 \uc2dc\ubbac\ub808\uc774\uc158<\/strong>.<\/li>\n\n\n\n<li><strong>\ub2e8\ubc31\uc9c8\ub3c4 \ubcc0\ud615 \uac00\ub2a5\ud558\ub3c4\ub85d \uc124\uc815\ud558\uc5ec \uacb0\ud569 \uc720\ub3c4 \ubcc0\ud654\ub97c \ubc18\uc601<\/strong>.<\/li>\n\n\n\n<li><strong>\uae30\uc874 \ub3c4\ud0b9 \ubaa8\ub378(Vina, DiffDock, TankBind)\ubcf4\ub2e4 \ub192\uc740 \uc131\uacf5\ub960\uc744 \uae30\ub85d<\/strong>.<\/li>\n<\/ul>\n\n\n\n<p><strong>DynamicBind\ub294 NeuralPlexer\uc640 \ube44\uc2b7\ud55c \uc131\ub2a5\uc744 \ubcf4\uc774\uba70, \ud2b9\ud788 \uad6c\uc870 \ubcc0\ud654\ub97c \uace0\ub824\ud560 \uc218 \uc788\ub2e4\ub294 \uc810\uc5d0\uc11c AlphaFold 3\ubcf4\ub2e4 \uc6b0\uc218<\/strong>\ud568.<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity\"\/>\n\n\n\n<h3 class=\"wp-block-heading\"><strong>\ubbf8\ub798 \uc804\ub9dd<\/strong><\/h3>\n\n\n\n<p>\uacfc\uac70 50\ub144 \ub3d9\uc548 \ub2e8\ubc31\uc9c8 \uad6c\uc870 \uc608\uce21 \uae30\uc220\uc740 \ub2e4\uc74c\uacfc \uac19\uc774 \ubc1c\uc804\ud574 \uc654\uc74c:<\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>1990~2000\ub144\ub300:<\/strong> CASP \uc2e4\ud5d8 \ub3c4\uc785, \ub3d9\uc871\uc131 \ubaa8\ub378(homology modeling) \uc911\uc2ec\uc758 \uc5f0\uad6c.<\/li>\n\n\n\n<li><strong>2010\ub144\ub300:<\/strong> \uae30\uacc4 \ud559\uc2b5 \uae30\ubc18 \ubc29\ubc95 \ub4f1\uc7a5 (\uc608: Rosetta).<\/li>\n\n\n\n<li><strong>2020\ub144\ub300:<\/strong> AlphaFold 2 \ub4f1\uc7a5 \u2192 \ub2e8\ubc31\uc9c8 \uc608\uce21\uc758 \ud601\uc2e0.<\/li>\n\n\n\n<li><strong>2024\ub144:<\/strong> <strong>AlphaFold 3 \ucd9c\uc2dc \u2192 DNA, RNA, \ub9ac\uac04\ub4dc\uae4c\uc9c0 \uc608\uce21 \uac00\ub2a5<\/strong>.<\/li>\n<\/ul>\n\n\n\n<p>\uadf8\ub7ec\ub098 AlphaFold 3\ub294 <strong>\ucf54\ub4dc \ubbf8\uacf5\uac1c, \uad6c\uc870\uc801 \ubcc0\ud654 \ubbf8\ubc18\uc601 \ub4f1\uc758 \ubb38\uc81c\uc810\uc774 \uc874\uc7ac<\/strong>\ud558\uba70, NeuralPlexer 2\uc640 DynamicBind\uc640 \uac19\uc740 \ub300\uc548 \ubaa8\ub378\ub4e4\uc774 \uac15\ub825\ud55c \uacbd\uc7c1\uc790\ub85c \ubd80\uc0c1 \uc911.<\/p>\n\n\n\n<p><strong>\ud5a5\ud6c4 \uc804\ub9dd<\/strong><\/p>\n\n\n\n<ul class=\"wp-block-list\">\n<li><strong>DiffDock \ubc0f NeuralPlexer \uae30\ubc18\uc758 \ud5a5\uc0c1\ub41c \uc0dd\uc131\ud615 \ubaa8\ub378\ub4e4\uc774 \ub4f1\uc7a5\ud560 \uac00\ub2a5\uc131 \ud07c<\/strong>.<\/li>\n\n\n\n<li><strong>OpenFold \uac19\uc740 \ud504\ub85c\uc81d\ud2b8\uc5d0\uc11c AlphaFold 3\uc744 \uc7ac\ud559\uc2b5\ud560 \uac00\ub2a5\uc131\uc774 \uc788\uc74c<\/strong>.<\/li>\n\n\n\n<li><strong>\uae30\uc874 \ubaa8\ub378\ub4e4\uc758 \uc7a5\uc810\uc744 \uacb0\ud569\ud55c \ucc28\uc138\ub300 \ub3c4\ud0b9 \uc54c\uace0\ub9ac\uc998\uc774 \uac1c\ubc1c\ub420 \uac83\uc73c\ub85c \uae30\ub300\ub428<\/strong>.<\/li>\n<\/ul>\n\n\n\n<blockquote class=\"wp-block-quote is-layout-flow wp-block-quote-is-layout-flow\">\n<p><a href=\"https:\/\/medium.com\/@falk_hoffmann\/promising-alternatives-to-alphafold-3-how-they-work-and-when-to-use-them-ccbcde490b14\">https:\/\/medium.com\/@falk_hoffmann\/promising-alternatives-to-alphafold-3-how-they-work-and-when-to-use-them-ccbcde490b14<\/a><\/p>\n<cite><strong>Alternatives to AlphaFold 3\u2014 how they work and when to use them<\/strong> by Falk Hoffman, May 25, 2024<\/cite><\/blockquote>\n","protected":false},"excerpt":{"rendered":"<p>AlphaFold 3(AF3)\uc758 \ud55c\uacc4 \ub300\uc548 1: DiffDock DiffDock\uc740 MIT\uc758 Tommi Jaakkola \uc5f0\uad6c\uc2e4\uc5d0\uc11c \uac1c\ubc1c\ud55c \uc0dd\uc131\ud615(diffusion) \ubaa8\ub378\uc744 \ud65c\uc6a9\ud55c \ub2e8\ubc31\uc9c8-\ub9ac\uac04\ub4dc \ub3c4\ud0b9 \uae30\ubc95 DiffDock\uc758 \ud575\uc2ec\uc740 \ub9ac\uac04\ub4dc\uac00 \uacb0\ud569\ud558\ub294 \uacfc\uc815\uc5d0\uc11c \ub2e8\ubc31\uc9c8\uc774 \ub3d9\uc801\uc73c\ub85c \ubcc0\ud615\ub418\ub294 \uac83\uc744 \uace0\ub824\ud568. \uadf8\ub7ec\ub098 \uc5ec\uc804\ud788 AlphaFold 3\uc758 \uc815\ud655\ub3c4\uc5d0\ub294 \ubbf8\uce58\uc9c0 \ubabb\ud568. \ub300\uc548 2: NeuralPlexer 2 NeuralPlexer\ub294 2024\ub144 4\uc6d4 Nature Methods\uc5d0 \ubc1c\ud45c\ub41c \ucd5c\uc2e0 \ubaa8\ub378\ub85c, AlphaFold 2\ubcf4\ub2e4 \ub2e4\uc74c\uacfc \uac19\uc740 \uc7a5\uc810\uc744 \uac00\uc9d0: NeuralPlexer\uc758 \ud575\uc2ec\uc740&hellip;&nbsp;<a href=\"https:\/\/neuron.catholic.ac.kr\/?p=1751\" rel=\"bookmark\">\ub354 \ubcf4\uae30 &raquo;<span class=\"screen-reader-text\">AlphaFold 3\uc758 \ud55c\uacc4 \ubc0f \ub300\uc548<\/span><\/a><\/p>\n","protected":false},"author":3,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","_jetpack_memberships_contains_paid_content":false,"footnotes":""},"categories":[24,36,12],"tags":[32,17],"class_list":["post-1751","post","type-post","status-publish","format-standard","hentry","category-ai","category-alphafold","category-neuron-simulation","tag-alphafold3","tag-neuron"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.3 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>AlphaFold 3\uc758 \ud55c\uacc4 \ubc0f \ub300\uc548 - Neuropharm<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/neuron.catholic.ac.kr\/?p=1751\" \/>\n<meta property=\"og:locale\" content=\"ko_KR\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"AlphaFold 3\uc758 \ud55c\uacc4 \ubc0f \ub300\uc548 - Neuropharm\" \/>\n<meta property=\"og:description\" content=\"AlphaFold 3(AF3)\uc758 \ud55c\uacc4 \ub300\uc548 1: DiffDock DiffDock\uc740 MIT\uc758 Tommi Jaakkola \uc5f0\uad6c\uc2e4\uc5d0\uc11c \uac1c\ubc1c\ud55c \uc0dd\uc131\ud615(diffusion) \ubaa8\ub378\uc744 \ud65c\uc6a9\ud55c \ub2e8\ubc31\uc9c8-\ub9ac\uac04\ub4dc \ub3c4\ud0b9 \uae30\ubc95 DiffDock\uc758 \ud575\uc2ec\uc740 \ub9ac\uac04\ub4dc\uac00 \uacb0\ud569\ud558\ub294 \uacfc\uc815\uc5d0\uc11c \ub2e8\ubc31\uc9c8\uc774 \ub3d9\uc801\uc73c\ub85c \ubcc0\ud615\ub418\ub294 \uac83\uc744 \uace0\ub824\ud568. \uadf8\ub7ec\ub098 \uc5ec\uc804\ud788 AlphaFold 3\uc758 \uc815\ud655\ub3c4\uc5d0\ub294 \ubbf8\uce58\uc9c0 \ubabb\ud568. \ub300\uc548 2: NeuralPlexer 2 NeuralPlexer\ub294 2024\ub144 4\uc6d4 Nature Methods\uc5d0 \ubc1c\ud45c\ub41c \ucd5c\uc2e0 \ubaa8\ub378\ub85c, AlphaFold 2\ubcf4\ub2e4 \ub2e4\uc74c\uacfc \uac19\uc740 \uc7a5\uc810\uc744 \uac00\uc9d0: NeuralPlexer\uc758 \ud575\uc2ec\uc740&hellip;&nbsp;\ub354 \ubcf4\uae30 &raquo;AlphaFold 3\uc758 \ud55c\uacc4 \ubc0f \ub300\uc548\" \/>\n<meta property=\"og:url\" content=\"https:\/\/neuron.catholic.ac.kr\/?p=1751\" \/>\n<meta property=\"og:site_name\" content=\"Neuropharm\" \/>\n<meta property=\"article:published_time\" content=\"2025-02-25T01:12:39+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2025-02-25T01:27:23+00:00\" \/>\n<meta name=\"author\" content=\"Choi\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"\uae00\uc4f4\uc774\" \/>\n\t<meta name=\"twitter:data1\" content=\"Choi\" \/>\n\t<meta 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