Unexplained Kinase inhibition studies across the Kinome. Comparative approaches makeing use of MD simulation and water-network analysis database
Leon Obendorf, Freie Universität Berlin, Chemie und Biochemie
Inhalte
Kinases remain at the forefront of drug discovery due to their central role in cell regulation and disease. Building on our foundational work from the previous semester—where we simulated the human kinome and its water network using molecular dynamics simulations, developed standardised analyses and comparative methods—this module shifts this semester towards application-oriented case studies. Literature research, defining research questions but also practical skills in coding and data visualization will be a core focus, supported by hands-on training in molecular simulations and visualization approaches in Python. Students will also apply advanced techniques to analyze large-scale simulation outputs, contributing to a growing database of kinome-related findings. This course is open to Bachelor’s and Master’s students from natural or computational sciences (biology, pharmacy, chemistry, bioinformatics, computer science, etc.). No prior experience is required.
Kontakt
leon.obendorf@fu-berlin.de
Link zum Vorlesungsverzeichnis
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