894005 Computer-aided drug design and discovery of bioactive natural products (in Eng.)

Art
Vorlesung und Übung
Semesterstunden
2
Vortragende/r (Mitwirkende/r)
Organisation
Angeboten im Semester
Wintersemester 2022/23
Unterrichts-/ Lehrsprachen
Englisch
Lehrinhalt

The course will include lectures/tutorials designed to provide an introduction into theoretical aspects underlying modern drug discovery and design techniques. These will be combined with hands-on computer sessions designed to provide an introduction into the practical aspects of performing and analyzing the computer experiments. The course will also provide a productive environment for discussion with experts and fellow participants.
Inhaltliche Voraussetzungen (erwartete Kenntnisse)

Basic knowledge about biomolecules is required
Lehrziel

Participants will gain knowledge about

1.Target selection and validation.
2.Natural products database compilation for structure-based virtual screening (SBVS).
3.Retrospective and prospective SBVS from the database.
4.Hits optimization by employing molecular dynamics simulations.
Noch mehr Informationen zur Lehrveranstaltung, wie Termine oder Informationen zu Prüfungen, usw. finden Sie auf der Lehrveranstaltungsseite in BOKUonline.