Molecular Modeling for Drug Design A – laboratory 1200-1CHMMOAL6
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.
- Total student workload: 2*30 = 50 hours.
- Class participation: 30 hours
- Preparing for classes: 10 hours
- Consultations with instructors: 10 hours
Type of course
Mode
Remote learning
Requirements
Prerequisites
Prerequisites (description)
Course coordinators
Learning outcomes
Knowledge: Graduates have advanced knowledge and understanding of aspects of drug structure and action, the basics of molecular modeling, and understand the interdisciplinary nature of new drug design.
Skills: Graduates can apply conceptual frameworks and qualitative models of chemistry to analyze and interpret the properties of molecules and their interactions with biomolecules. They can retrieve necessary information from online databases of chemical compound structures and biomolecules, and can use the Python programming language at a basic level.
Social Competencies: Graduates are ready to understand and recognize the role of knowledge in formulating opinions and solving problems in chemistry and biomedical sciences. They can critically evaluate their knowledge and skills and assess knowledge acquired from various sources.
Assessment criteria
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.
The report is written and submitted during class.
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: