{"id":418,"date":"2025-11-20T01:10:14","date_gmt":"2025-11-19T18:10:14","guid":{"rendered":"https:\/\/pythonsonline.com\/index.php\/2025\/11\/20\/dinamika-molekuler-dan-perhitungan-kuantum-wawancara-aaps-thermo-fisher-bagian-kedua\/"},"modified":"2025-11-20T01:10:14","modified_gmt":"2025-11-19T18:10:14","slug":"dinamika-molekuler-dan-perhitungan-kuantum-wawancara-aaps-thermo-fisher-bagian-kedua","status":"publish","type":"post","link":"https:\/\/pythonsonline.com\/index.php\/2025\/11\/20\/dinamika-molekuler-dan-perhitungan-kuantum-wawancara-aaps-thermo-fisher-bagian-kedua\/","title":{"rendered":"Dinamika Molekuler dan Perhitungan Kuantum: Wawancara AAPS Thermo Fisher, Bagian Kedua"},"content":{"rendered":"<div id=\"block-content\">\n<p class=\"\">Sebagai bagian dari liputannya <astro-island uid=\"F2HRi\" prefix=\"r57\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;841f8d1c3ce8&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;AAPS PharmSci 360 2025&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;2b9f8bde290a&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/conference\/aaps&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;2b9f8bde290a&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">AAPS Farmasi 360 2025<!--astro:end--><\/astro-island>diadakan dari 9-12 November di San Antonio, Texas, <em>Teknologi Farmasi<\/em>\u00ae Grup berbicara dengan <astro-island uid=\"h37N9\" prefix=\"r58\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;7e2ecaf00333&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;Sanjay Konagurthu&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;0ae5026c6512&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.linkedin.com\/in\/sanjay-konagurthu-a61b9b10\/&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;0ae5026c6512&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">Sanjay Konagurthu<!--astro:end--><\/astro-island>PhD, direktur senior, Sains dan Inovasi, Thermo Fisher Scientific, tentang presentasi \u201c<astro-island uid=\"Z1gXVYw\" prefix=\"r59\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;d4e1e32a1dee&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;AI\/ML Model Informed Early-Stage Drug Development.&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;58c28b07ec53&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/aaps2025.eventscribe.net\/ajaxcalls\/PosterInfo.asp?PosterID=764318&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;58c28b07ec53&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">Model AI\/ML Menginformasikan Pengembangan Obat Tahap Awal.<!--astro:end--><\/astro-island>\u201d<\/p>\n<p class=\"\">Dalam kesimpulan ini <astro-island uid=\"Z25laUR\" prefix=\"r60\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;6be55406e7b3&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;of a two-part interview,&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;e01efb872be9&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/view\/leveraging-ai-ml-to-reduce-risk-in-drug-development-part-one&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;e01efb872be9&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">dari wawancara dua bagian,<!--astro:end--><\/astro-island>    Dr Konagurthu berbicara tentang pengintegrasian yang sistematis <em>dalam-silico<\/em> kerangka kerja untuk mempercepat pengambilan keputusan mengenai <astro-island uid=\"28tAyD\" prefix=\"r61\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;239e1a45736c&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;formulation&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;36e21f65d10b&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/topic\/formulation-and-drug-delivery&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;36e21f65d10b&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">perumusan<!--astro:end--><\/astro-island>    kelayakan dan pemuatan obat.<\/p>\n<p class=\"\">Dia mengatakan kerangka kerja ini memberikan wawasan tentang bentuk sediaan akhir, karena pemuatan obat dapat berdampak pada stabilitas fisik dan kimia\u2014dan berapa banyak zat obat yang dapat terkandung dalam suatu sediaan. <astro-island uid=\"Z10BEdt\" prefix=\"r62\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;4c7c2f39ff62&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;tablet or capsule&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;93cd6ed0f981&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/topic\/manufacturing-solid-dosage-drugs&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;93cd6ed0f981&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">tablet atau kapsul<!--astro:end--><\/astro-island>.<\/p>\n<p class=\"\">\u201cPemuatan obat merupakan aspek penting dalam hal stabilitas fisik dan kimia,\u201d kata Dr. Konagurthu. \u201cDengan beberapa alat pemodelan yang telah kami gunakan dan terapkan, kami tidak hanya dapat memprediksi eksipien dan polimer yang sesuai untuk disaring sebelum eksperimen apa pun, kami juga dapat memprediksi berapa banyak obat yang dapat dicapai.\u201d<\/p>\n<h2 class=\"pb-4 pt-2 text-2xl\"><strong>Terlalu ketat, terlalu longgar, atau pas?<\/strong><\/h2>\n<p class=\"\">Konagurthu juga membahas bagaimana simulasi dinamika molekuler dan perhitungan mekanika kuantum memberikan informasi yang kompleks <astro-island uid=\"2dM3Sm\" prefix=\"r63\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;8796775de6f3&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;analysis&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;c2791cbe4230&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/topic\/analytics&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;c2791cbe4230&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">analisa<!--astro:end--><\/astro-island>    interaksi obat-eksipien.<\/p>\n<p class=\"\">\u201cJika obat terikat terlalu erat, obat tidak akan terlepas,\u201d katanya. &#8220;Jika terlalu longgar, ia tidak benar-benar stabil dalam bentuk amorf. Jadi, ini adalah serangkaian perhitungan dan berbagai deskriptor yang kami tetapkan selain sifat fisik-kimia &#8230; untuk dapat melakukan perhitungan ini dan mempersempit ruang desain formulasi. Dan semua ini dilakukan <em>dalam silikon<\/em>.\u201d<\/p>\n<p class=\"\"><astro-island uid=\"2bwqOG\" prefix=\"r64\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;382f9394199e&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;Click here for Part One&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;e47a09157c9d&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/view\/leveraging-ai-ml-to-reduce-risk-in-drug-development-part-one&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;e47a09157c9d&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">Klik di sini untuk Bagian Satu<!--astro:end--><\/astro-island>    dari wawancara Dr. Konagurthu dengan PharmTech Group, di mana ia membahas bagaimana kecerdasan buatan dan pembelajaran mesin dapat membantu memecahkan dilema kelarutan yang buruk.<\/p>\n<p class=\"\"><astro-island uid=\"ZXah6i\" prefix=\"r65\" component-url=\"\/_astro\/external-link.WtEnJL32.js\" component-export=\"default\" renderer-url=\"\/_astro\/client.4AZqD4Tw.js\" props=\"{&quot;value&quot;:(0,{&quot;_type&quot;:(0,&quot;@span&quot;),&quot;_key&quot;:(0,&quot;7821c23c896c&quot;),&quot;children&quot;:(1,((0,{&quot;_type&quot;:(0,&quot;@text&quot;),&quot;text&quot;:(0,&quot;Click here&quot;)}))),&quot;markDef&quot;:(0,{&quot;_key&quot;:(0,&quot;e113d0455658&quot;),&quot;_type&quot;:(0,&quot;link&quot;),&quot;href&quot;:(0,&quot;https:\/\/www.pharmtech.com\/conference\/aaps&quot;)}),&quot;markType&quot;:(0,&quot;link&quot;),&quot;markKey&quot;:(0,&quot;e113d0455658&quot;)})}\" ssr=\"\" client=\"load\" opts=\"{&quot;name&quot;:&quot;ExternalLinkPlugin&quot;,&quot;value&quot;:true}\" await-children=\"\">klik disini<!--astro:end--><\/astro-island>    untuk semua cakupan AAPS PharmSci 360 kami.<\/p>\n<h2 class=\"pb-4 pt-2 text-2xl\"><strong>Salinan<\/strong><\/h2>\n<p class=\"\"><em>Catatan Editor: Transkrip ini adalah rendering konten audio\/video asli yang sedikit diedit. Ini mungkin mengandung kesalahan, bahasa informal, atau kelalaian seperti yang diucapkan dalam rekaman aslinya.<\/em><\/p>\n<p class=\"\">Halo, saya Sanjay Konagurthu. Saya Direktur Senior Sains dan Inovasi di Thermo Fisher.<\/p>\n<p class=\"\">Saat kita melakukan hal-hal seperti perhitungan kuantum, kita melihat ruang konfirmasi. Jadi hal ini memberi kita wawasan tentang bagaimana sebuah molekul melipat dirinya sendiri. Itu memberi kita gambaran tentang luas permukaan molekul yang dapat diakses dan polimer eksipien untuk berinteraksi. Jadi itu satu bagiannya.<\/p>\n<p class=\"\">Dan kita melihat berbagai deskriptornya, seperti donor ikatan hidrogen klasik, akseptor, aromatik, hidrofobik. Kami melihat model muatan permukaan energi potensial. Ini seperti titik lengket suatu molekul yang pada dasarnya memberi kita wawasan tentang bagaimana suatu molekul dan eksipien atau polimer berinteraksi pada tingkat molekuler.<\/p>\n<p class=\"\">Dan kemudian kita melihat dinamika molekuler. Simulasi, melihat interaksi antara obat dan polimer. Jika obat terikat terlalu erat maka obat tidak akan terlepas. Jika terlalu longgar, ia tidak akan stabil dalam bentuk amorf. Jadi inilah rangkaian perhitungan dan berbagai deskriptor yang kami tetapkan selain sifat fisik-kimia, seperti yang saya sebutkan, untuk dapat melakukan perhitungan tersebut dan mempersempit ruang desain formulasi.<\/p>\n<p class=\"\">Dan semua ini sudah selesai <em>dalam silikon<\/em>. Oleh karena itu, kami menghemat banyak sekali percobaan dan kesalahan serta eksperimen yang tidak perlu dan mencapai tujuan dengan lebih cepat.<\/p>\n<p class=\"\">Pemuatan obat merupakan aspek penting dalam hal stabilitas fisik dan kimia. Dengan beberapa alat pemodelan yang telah kami gunakan dan terapkan, kami tidak hanya dapat memprediksi eksipien dan polimer yang sesuai untuk disaring sebelum eksperimen apa pun, kami juga dapat memperkirakan berapa banyak obat yang dapat dicapai.<\/p>\n<p class=\"\">Jadi yang dilakukan adalah, prioritas kami adalah, Anda mendapatkan gambaran tentang seperti apa bentuk sediaan akhir Anda karena pemuatan obat dapat memengaruhi stabilitas fisik dan kimia, dan berapa banyak pemuatan obat yang Anda miliki dapat memengaruhi berapa banyak obat yang Anda dapatkan dalam bentuk tablet atau kapsul. Itulah interaksi yang dapat kami peroleh berdasarkan alat pemodelan AI\/ML yang telah kami terapkan di Thermo Fisher.<\/p>\n<\/p><\/div>\n","protected":false},"excerpt":{"rendered":"<p>Sebagai bagian dari liputannya AAPS Farmasi 360 2025diadakan dari 9-12 November di San Antonio, Texas, Teknologi Farmasi\u00ae Grup berbicara dengan Sanjay KonagurthuPhD, direktur senior, Sains dan Inovasi, Thermo Fisher Scientific, tentang presentasi \u201cModel AI\/ML Menginformasikan Pengembangan Obat Tahap Awal.\u201d Dalam kesimpulan ini dari wawancara dua bagian, Dr Konagurthu berbicara tentang pengintegrasian yang sistematis dalam-silico kerangka [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":419,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"class_list":["post-418","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-blog"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v24.9 - 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