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PřF:C1472 Applied mathematics for bioche - Course Information

## C1472 Applied mathematics for biochemists - seminar

**Faculty of Science**

Spring 2020

**Extent and Intensity**- 0/1/0. 1 credit(s) (plus extra credits for completion). Type of Completion: z (credit).
**Teacher(s)**- prof. RNDr. Jaroslav Koča, DrSc. (lecturer)

RNDr. Tomáš Raček (lecturer)

doc. RNDr. Radka Svobodová, Ph.D. (lecturer)

Mgr. Zdeněk Kříž, Ph.D. (lecturer) **Guaranteed by**- prof. RNDr. Jaroslav Koča, DrSc.

National Centre for Biomolecular Research - Faculty of Science

Supplier department: National Centre for Biomolecular Research - Faculty of Science **Prerequisites**(in Czech)- NOW (
**C1471**Applied mathematics for biochemists ) **Course Enrolment Limitations**- The course is also offered to the students of the fields other than those the course is directly associated with.
**fields of study / plans the course is directly associated with**- Applied biochemistry (programme PřF, B-BIC)
- Biochemistry (programme PřF, B-BIC)
- Bioinformatics (programme PřF, B-BIC)

**Course objectives**- The aim of this course is to introduce the methods and approaches for solving the most common computational problems in chemistry, biochemistry and, more generally, in life sciences.
**Learning outcomes**- At the end of the course student will be able to describe and apply basic numerical methods on life science problems as well as evaluate their limits on particular examples.
**Syllabus**- 1. Problems of floating point representation of real numbers.
- 2. Solution to linear systems (GEM drawbacks, LU decomposition, least squares method).
- 3. Vector algebra. Transformation of coordinates. Molecular modelling applications.
- 4. Dimensionality reduction and visualization of multidimensional data. Cluster analysis.
- 5. Random numbers a their generation. Monte Carlo methods.
- 6. Functions of two variables. Local extremes.
- 7. Numerical differentiation and integration.
- 8. Integration of functions of two variables, applications.
- 9. Introduction to optimization. Molecular geometry optimization.
- 10. Parameterization of computational methods in chemistry. Local vs. global optimization methods.
- 11. Differential equations and their application in chemistry.
- 12. Differential equations in molecular mechanics (analytical and numerical approaches).

**Literature****Teaching methods**- Practical exercises.
**Assessment methods**- Continuous assessment.
**Language of instruction**- Czech
**Further Comments**- Study Materials

The course is taught annually.

The course is taught: every week. **Listed among pre-requisites of other courses**

- Enrolment Statistics (recent)

- Permalink: https://is.muni.cz/course/sci/spring2020/C1472