BEGIN:VCALENDAR VERSION:2.0 PRODID:icalendar-ruby CALSCALE:GREGORIAN BEGIN:VEVENT DTSTAMP:20260616T092853Z UID:f3c95248-7cf5-42b1-a4cb-18075752a840 DTSTART:20240610T000000Z DTEND:20240614T000000Z DESCRIPTION:# Overview\nComputational methods have played a central role in drug discovery during the last decades. They now constitute an essential part of the discovery pipeline\, notably in pharmaceutical companies. The emergence of new approaches to predict the 3D structure of therapeutical t arget proteins is expected to further reinforce these approaches. Computer -aided drug design (CADD) tools are generally classified into two categori es: (i) ligand-based\, which use the information implicitly included in ex isting ligands and (ii) protein structure-based\, which use the targeted p rotein structure. \nStructure-based CADD can support hit identification an d lead optimization by tackling several tasks\, including small-molecule b inding site detection\, prediction of how small molecules bind to the prot ein target\, or the estimation of their affinity. This teaching will focus on structure-based CADD.\n\nDuring the School\, significant time will be devoted to hands-on and the program will be divided into two main topics:\ n- How 3D structures of targeted proteins are obtained experimentally or t heoretically\, how they are stored\, annotated and disseminated\, how far they can be trusted and corrected\n- What are the standard and novel appro aches in structure-based computer-aided drug design\, how they work\, what can be expected from them.\n\n\n# Audience\nThis course is addressed to l ife scientists\, biomedical researchers and bioinformaticians (mostly PhD students and postdocs).\n\n# Learning outcomes\nAt the end of the course\, the participants are expected to:\n* Understand the main concepts of stru cture-based CADD\n* Understand the approaches behind structure-based CADD\ , how they work\, what we can expect from them\, and what are their limita tions\n\n\n# Prerequisites\n**Knowledge / competencies**\nThis course is d esigned for beginners and there is no requirement.\n\n**Technical**\nYou a re required to bring your own laptop\, more instructions will be communica ted to the course participants. \n\n# Schedule - CET time zone\nMay be sub ject to modifications\n\n**D1 - Monday 10 June** \n*Morning*: Experimental 3D structure determination Trainer: Julia Santiago\, UNIL\, Lausanne\, CH \n\n*Afternoon*: Protein structure modelling by homology and deep learning \nTrainers: Janani Durairaj &\; Jérôme Eberhardt\, SwissModel\, Basel \, CH\n\n*Evening*: social dinner\n\n**D2 - Tuesday 11 June** \n*Morning*: Confidence in and correction of experimental 3D Structures\nTrainer: Robb ie Joosten\, PDBRedo\, NL\n\n*Afternoon*: Proteins*Plus* - Supporting Stru cture-Based Design on the Web\nTrainer: Christiane Ehrt\, Universität Ham burg &\; de.NBI - German Network for Bioinformatics Infrastructure\, DE .\n\n**D3 - Wednesday 12 June** \n*Morning*: Exploring small molecule stru cture data in PDBe and PDBe-KB\nTrainers: Preeti Choudhary &\; Ibrahim Roshan Kunnakkattu\, PDBe\, EBI\, UK \n\n*Lunch time*: Social activity.\n\ n*Afternoon*: Beyond Structure-based CADD\nTrainer: Antoine Daina\, SIB MM G\, Lausanne\, CH \n\n**D4 - Thursday 13 June** \n*Morning*: Small Molecul e Docking\nTrainer: Ute Röhrig\, SIB MMG\, Lausanne\, CH\n\n*Afternoon*: Structure-based virtual screening\nTrainer: Carlos Oscar Sorzano\, CSIC\, Madrid\, ES\n*Evening*: Social dinner\n**D5 - Friday 14 June** \n*Morning* : Molecular Modelling\, MD simulations and binding free energy estimation. \n\nTrainers: Annick Dejeagere &\; Roland Stote\, IGBMC\, ESBS\, Strasb ourg\, FR\n\n*Afternoon*: Deep learning in SB-CADD\nTrainer: Kieran Didi\ , Cambridge University\, UK\n\n\n\n# Application\nThe registration fees fo r academics are **500 CHF** and **2000 CHF** for for-profit companies. The fees include two social dinners (Monday and Thursday evening) and a socia l activity. Other meals and accommodation are at your own expenses.\n\nWou ld you please let us know your motivation and background in the "Comment" field of the application form? Thank you.\n\nYou will be informed by email of your registration confirmation\, which may take some time. Upon recept ion of the confirmation email\, participants will be asked to confirm atte ndance by paying the fees within 5 days.\n\nApplications close on *02/05/2 024*. Deadline for free-of-charge cancellation is set to *02/05/2024*. Can cellation after this date will not be reimbursed. Please note that partici pation in SIB courses is subject to our [general conditions](https://www.s ib.swiss/training/terms-and-conditions).\n\n# Venue and Time\nThis course will be take place at the University of Lausanne\, more info will be provi ded in due time. \n\nThe School will start at 9:00 and end around 17:00. P recise information will be provided to the participants in due time.\n\n\n # Additional information\nOrganization: Prof. Vincent Zoete\, associate p rofessor at UNIL and group leader at SIB\nCoordination: Grégoire Rossier \n\nYou are welcome to register to the SIB courses mailing list to be info rmed of all future courses and workshops\, as well as all important deadli nes using the form [here](https://lists.sib.swiss/mailman/listinfo/courses ).\n\nPlease note that participation in SIB courses is subject to our [gen eral conditions](https://www.sib.swiss/training/terms-and-conditions).\n\n SIB abides by the [ELIXIR Code of Conduct](https://elixir-europe.org/event s/code-of-conduct). Participants of SIB courses are also required to abide by the same code.\n\nFor more information\, please contact [training@sib. swiss](mailto://training@sib.swiss). SUMMARY:Spring School Structure-based Computer-aided Drug Design URL;VALUE=URI:https://www.sib.swiss/training/course/20240609_CADD END:VEVENT END:VCALENDAR