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46377-01 - Vorlesung: Molecular Modeling in Drug Design (2 KP)
| Semester | Herbstsemester 2025 |
| Angebotsmuster | Jedes Herbstsemester |
| Dozierende | Markus A. Lill (markus.lill@unibas.ch, BeurteilerIn) |
| Inhalt | This course consists of three different elements: - Lectures (pre-recorded) - Theoretical problem solving - Practical computer labs The course is provided in a flipped-classroom style. Lectures are pre-recorded. Students are requested to understand lectures before entering the classroom. Short quizzes will be taken at the beginning of the “Theoretical problem solving” sessions. In those sessions problems will also be solved in small groups and selected problems have to be submitted for grades. Practical computer labs will intensify the understanding of the material. Topics covered by the lectures: - Virtual screening - Molecular docking and scoring - Molecular dynamics simulations - Free energy calculations - Descriptors, Fingerprints, QSAR - Library design - Neural networks and deep learning |
| Lernziele | Advanced overview of computational and modeling methods in drug design. In-depth understanding of the state-of-the-art techniques employed in the modern rational drug design, including their strenghts and weaknesses. Solving theoretical and practical problems in computational drug design. |
| Literatur | Citations for further reading will be provided throughout the course. |
| Bemerkungen | Film and sound recordings during the course are strictly forbidden (recorders may be confiscated |
| Weblink | Department of Pharmaceutical Sciences |
| Teilnahmevoraussetzungen | Successfully completed lecture series 12205-01 "Einführung ins Molecular Modeling". Basic experience with molecular modeling software required. Completed Bachelor degree. |
| Unterrichtssprache | Deutsch |
| Einsatz digitaler Medien | kein spezifischer Einsatz |
| Intervall | Wochentag | Zeit | Raum |
|---|---|---|---|
| wöchentlich | Donnerstag | 08.15-10.00 | Pharmazentrum, Computerraum Cherry |
Einzeltermine
| Datum | Zeit | Raum |
|---|---|---|
| Donnerstag 18.09.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 25.09.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 02.10.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 09.10.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 16.10.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 23.10.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 30.10.2025 | 08.15-10.00 Uhr | no lecture, exam week |
| Donnerstag 06.11.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 13.11.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 20.11.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 27.11.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 04.12.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 11.12.2025 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 18.12.2025 | 08.15-10.00 Uhr | no lecture, exam week |
| Donnerstag 15.01.2026 | 08.45-09.45 Uhr | Pharmazentrum, Hörsaal 1 |
| Module |
Modul: General Skills and Experimental Tools (Masterstudium: Drug Sciences) Modul: Vertiefung Medizinische Nanowissenschaften (Masterstudium: Nanowissenschaften) Wahlbereich Master Pharmazie: Empfehlungen (Masterstudium: Pharmazie) |
| Prüfung | Lehrveranst.-begleitend |
| Hinweise zur Prüfung | 6 Quizzes + Problems to be solved in class or at home |
| An-/Abmeldung zur Prüfung | Anm.: Belegen Lehrveranstaltung; Abm.: stornieren |
| Wiederholungsprüfung | keine Wiederholungsprüfung |
| Skala | 1-6 0,5 |
| Belegen bei Nichtbestehen | beliebig wiederholbar |
| Zuständige Fakultät | Philosophisch-Naturwissenschaftliche Fakultät, studiendekanat-philnat@unibas.ch |
| Anbietende Organisationseinheit | Departement Pharmazeutische Wissenschaften |