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The each day will have a specific theme, which will be first introduced during theoretical lectures given by invited speakers in the morning. Afternoon there will be practical session, where students will have opportunity to learn the practical work with specific software under supervision of invited lecturers and local tutors.
In the evening on Monday there will be the invited lecture followed by the poster session, where students will present their research work. The other days will be evening round tables (discussion forum) split in four thematic groups dicussing individual problems. Students will be encouraged to participate in the thematic group of their interest. The thematic groups are: 1. Advance parametrization; 2. Ligand-protein simulations; 3. Membrane protein simulations; 4. Applications of molecular simulations on drug discovery and delivery.
On all evenings, informal discussions will continue during the following social hour.
The topic of Monday will be introduction to MD simulations. The topic of Tuesday will be the parameterization of MM forcefield using QM calculations. The topic of Wednesday will be the study of protein ligand interactions using MD simulations and molecular docking. The topic of Thursday will be membrane simulations and coarse-grained simulations. The topic at Friday will be the advanced analysis of MD simulations.
During practical sessions at Thursday and Friday students will be encouraged to work on their own individual projects using the computational software under supervision of the invited speakers or local tutors.
During the morning sessions of Thursday, Friday and Saturday the selected students will present their results in the form of the talk. In total 10 students will be selected for the talk by the organizing committee assisted by the invited lecturers and local tutors based on their poster.