| Course title | Molecular Modelling |
|---|---|
| Course code | KFC/PGSMM |
| Organizational form of instruction | Lecture |
| Level of course | Doctoral |
| Year of study | not specified |
| Semester | Winter and summer |
| Number of ECTS credits | 20 |
| Language of instruction | Czech, English |
| Status of course | Compulsory-optional |
| Form of instruction | Face-to-face |
| Work placements | This is not an internship |
| Recommended optional programme components | None |
| Lecturer(s) |
|---|
|
| Course content |
|
1. representation of molecules in 3D space, file formats, conversion, visualization 2. molecular mechanics, force field, non-covalent interactions, applications of FF 3. classical molecular dynamics, simulation protocol, applications and limitatios of FF 4. potential energy hypersurface, conformational search 5. computer simulations to estimate dG changes 6. solvent 7. QM/MM methods
|
| Learning activities and teaching methods |
Monologic Lecture(Interpretation, Training)
|
| Learning outcomes |
|
This lectures is focused on modern molecular modelling.
ability to evaluate particular methods and procedures, explain results obtained by methods of molecular modelling |
| Prerequisites |
|
unspecified
|
| Assessment methods and criteria |
|
Oral exam
|
| Recommended literature |
|
|
| Study plans that include the course |
| Faculty | Study plan (Version) | Category of Branch/Specialization | Recommended semester |
|---|