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| Semester | spring semester 2019 |
| Course frequency | Every spring sem. |
| Lecturers | Martin Smiesko (martin.smiesko@unibas.ch, Assessor) |
| Content | Series of advanced lectures offering critical insights into the most relevant molecular modeling methods and topics in the modern drug design. Areas covered by the lectures: - Encoding, storing and retrieving of chemical information - Virtual Screening - (Combinatorial) Library design - Scaffold hopping & de novo design - Molecular docking and scoring - Calculation of pharmaceutically relevant physico-chemical properties and descriptors - Molecular Dynamics Simulations Complemented by examples from the literature and in-house research |
| Learning objectives | 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. Critical interpretation of a selected scientific publication in the field. |
| Bibliography | A.R.Leach: Molecular Modelling: Principles and Applications, ISBN-13: 978-0582382107 J. Med. Chem. 2016, 59, 4087−4102, DOI: 10.1021/acs.jmedchem.5b01875 Nat Rev Drug Discov. 2013, 12(12), 948-62. DOI:10.1038/nrd4128 PLoS One. 2012, 7(11), e48476. DOI:10.1371/journal.pone.0048476 |
| Comments | Film and sound recordings during the course are strictly forbidden (recorders may be confiscated |
| Weblink | www.modeling.unibas.ch |
| Admission requirements | Attended lecture series 12205-01 "Einführung ins Molecular Modeling". Basic experience with molecular modeling software required. |
| Language of instruction | English |
| Use of digital media | No specific media used |
| Course auditors welcome |
| Interval | Weekday | Time | Room |
|---|
No dates available. Please contact the lecturer.
| Modules |
Electives Master Science in Pharmacy: Recommendations (Master's Studies: Science in Pharmacy) Module: General Skills and Experimental Tools (Master's Studies: Drug Sciences) |
| Assessment format | continuous assessment |
| Assessment details | 100% Attendance Electronic report based on a case study from the literature (application of molecular modeling method(s) in the drug design) |
| Assessment registration/deregistration | Reg.: course registration, dereg: cancel course registration |
| Repeat examination | no repeat examination |
| Scale | 1-6 0,5 |
| Repeated registration | as often as necessary |
| Responsible faculty | Faculty of Science, studiendekanat-philnat@unibas.ch |
| Offered by | Departement Pharmazeutische Wissenschaften |