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46377-01 - Vorlesung: Molecular Modeling in Drug Design (2 KP)
| Semester | Herbstsemester 2026 |
| 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 | Completed Bachelor degree. |
| Unterrichtssprache | Englisch |
| Einsatz digitaler Medien | kein spezifischer Einsatz |
| Intervall | Wochentag | Zeit | Raum |
|---|---|---|---|
| wöchentlich | Donnerstag | 08.15-10.00 | Pharmazentrum, Computerraum Cherry |
Einzeltermine
| Datum | Zeit | Raum |
|---|---|---|
| Donnerstag 17.09.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 24.09.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 01.10.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 08.10.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 15.10.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 22.10.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 29.10.2026 | 08.15-10.00 Uhr | Lecture break: examination week |
| Donnerstag 05.11.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 12.11.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 19.11.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 26.11.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 03.12.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 10.12.2026 | 08.15-10.00 Uhr | Pharmazentrum, Computerraum Cherry |
| Donnerstag 17.12.2026 | 08.15-10.00 Uhr | Lecture break: examination week |
| 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 | 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 |