Molecular Modeling for Drug Design B – laboratory 1200-1CHMMOBL6
During the laboratory, students will be able to learn how to use the molecular modeling and visualization programs for chemical and biological molecules (e.g. Yasara, VMD, PyMol). Part of the programs will include the possibility of building and modifying chemical compounds and proteins. The exercises will also help to acquire the ability to use online databases of chemical compounds and their molecular targets (e.g. PubMed and PDB). Acquiring programming skills in Python will allow to perform, among others an exercise on the use of artificial intelligence methods (deep learning) for the classification of big data.
Students from group B will additionally perform (compared to group A) three exercises, including Python programming and Linux/shell commands.
Type of course
Mode
Remote learning
Requirements
Prerequisites
Prerequisites (description)
Course coordinators
Learning outcomes
After completing all the planned exercises, the student should be able to use selected programs for molecular modeling and visualization of structures as well as molecular dynamics, and be able to search for the necessary information from online databases of chemical structures and biological molecular targets. The student should also be able to use the Python programming language at the higher basic level.
Assessment criteria
Requirements related to participation in the classes: none.
Acceptable number of excused absences: it is required to pass all exercises, also on additional dates.
A grade is given for completing the exercise and reporting. Failure to pass the report will result in the exercise being repeated
Practical placement
N/A
Bibliography
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Additional information
Additional information (registration calendar, class conductors, localization and schedules of classes), might be available in the USOSweb system: