{"id":2000,"date":"2022-08-20T10:08:53","date_gmt":"2022-08-20T10:08:53","guid":{"rendered":"http:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/?page_id=2000"},"modified":"2022-08-20T10:40:16","modified_gmt":"2022-08-20T10:40:16","slug":"ht3-t2-exploring-interactions-in-the-csd-and-pdb-using-isostar-and-superstar","status":"publish","type":"page","link":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/ht3-t2-exploring-interactions-in-the-csd-and-pdb-using-isostar-and-superstar\/","title":{"rendered":"HT3 T4: Exploring interactions in the CSD and PDB using IsoStar and SuperStar"},"content":{"rendered":"<p><strong>HT3: Databases<img loading=\"lazy\" decoding=\"async\" class=\" wp-image-1990 alignright\" src=\"http:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-232x300.jpg\" alt=\"\" width=\"148\" height=\"191\" srcset=\"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-232x300.jpg 232w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-793x1024.jpg 793w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-768x992.jpg 768w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale-1189x1536.jpg 1189w, https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-content\/uploads\/2022\/08\/rchikhale.jpg 1315w\" sizes=\"auto, (max-width: 148px) 100vw, 148px\" \/><\/strong><\/p>\n<h4><strong>T4 (tutorial): Exploring interactions in the CSD and PDB using IsoStar and SuperStar<\/strong><\/h4>\n<p><strong>Rupesh Chikhale<\/strong><br \/>\nResearch and Application Scientist<br \/>\nCambridge Crystallographic Data Centre<br \/>\nCambridge, UK<\/p>\n<p>This hands-on session will give participants experience of exploring interactions in crystal structures. We will see how IsoStar and SuperStar&nbsp;uses crystallographic information about non-bonded interactions to generate interaction maps within protein binding sites or around small molecules, i.e. to predict \u2018hot-spots\u2019 where a chosen interaction type is particularly favourable.<\/p>\n<p><strong>Learning Outcomes:<\/strong><\/p>\n<ul>\n<li>How knowledge-based approaches can be used to understand interactions within a solid form.<\/li>\n<li>How to generate interaction maps within protein binding sites or around small molecules.<\/li>\n<li>Familiarity with CSD-Discovery tools that can help to understand interaction in the solid form.<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>HT3: Databases T4 (tutorial): Exploring interactions in the CSD and PDB using IsoStar and SuperStar Rupesh Chikhale Research and Application Scientist Cambridge Crystallographic Data Centre Cambridge, UK This hands-on session will give participants experience of exploring interactions in crystal structures. We will see how IsoStar and SuperStar&nbsp;uses crystallographic information about non-bonded interactions to generate interaction [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"ngg_post_thumbnail":0,"footnotes":""},"class_list":["post-2000","page","type-page","status-publish","hentry"],"aioseo_notices":[],"_links":{"self":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages\/2000","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/comments?post=2000"}],"version-history":[{"count":0,"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/pages\/2000\/revisions"}],"wp:attachment":[{"href":"https:\/\/hrvatska-udruga-kristalografa.hr\/htcc5\/wp-json\/wp\/v2\/media?parent=2000"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}