C2130 Introduction to chemoinformatics and bioinformatics

Faculty of Science
Spring 2013
Extent and Intensity
2/0/0. 2 credit(s) (fasci plus compl plus > 4). Type of Completion: zk (examination).
prof. RNDr. Jaroslav Koča, DrSc. (lecturer)
Mgr. Lenka Malinovská, Ph.D. (lecturer)
doc. RNDr. Radka Svobodová, Ph.D. (lecturer)
prof. RNDr. Michaela Wimmerová, 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
Thu 16:00–17:50 C04/211
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
Course objectives
Students will learn basic knowledge about chemoinformatics and bioinformatics. Basic idea is to bridge the notion of information in chemoinformatics, where small molecules are the key objects, and understanding information in bioinformatics, where attention is focused on biopolymers, namely proteins and nucleic acids.

At the end of the course students should be able to:
Understand and draw 2-D and 3-D representation of molecules in computers;
Work with methods and the information how to get from genome information to biological function prediction;
Understand the relationship structure-activity-biological function
  • 1.What is chemoinformatics and bioinformatics ? 2.Representation and manipulation with 2-D structures. 3.3-D representation 4.Molecular descriptors 5.Quantitative-Strucure-Activity-Relationships (QSAR) models. 6.Methods to measure molecular similarity. 7.Molecular biology databases. Search for genes. 8.Sequence alignment. Principles, software. Multiple sequence alignment. 9.Gene prediction, phylogenetical evolutionary analysis. 10.Protein secondary structure prediction, basic 2-D and 3-D motives. 11.Sequence-function relationship, conserved regions, protein families. 12.3-D protein topology, 3-D structure prediction, threading 13.Methods to analyze large amount of data, virtual screening.
  • LEACH, Andrew R. and Valerie J. GILLET. An introduction to chemoinformatics. Dordrecht: Springer, 2005. xv, 259 s. ISBN 1-4020-1347-7. info
  • BUNIN, Barry A. Chemoinformatics : theory, practice, & products. Dordrecht: Springer, 2007. xi, 295. ISBN 1402050003. info
  • XIONG, Jin. Essential bioinformatics. 1st pub. Cambridge: Cambridge University Press, 2006. xi, 339. ISBN 0521600820. info
  • MOUNT, David W. Bioinformatics : sequence and genome analysis. 2nd ed. Cold Spring Harbor, N.Y.: Cold Spring Harbor Laboratory Press, 2004. xii, 692. ISBN 0879697121. info
Teaching methods
lectures with practical demonstrations
Assessment methods
Written examination, composed from two parts - bioinformatics and chemoinformatics. During a test, students can use study materials and a computer. Student successfully manages a test, if he/she obtain at least 50% of points, provided from the test.
Language of instruction
Further Comments
Study Materials
The course is taught annually.
The course is also listed under the following terms Spring 2008 - for the purpose of the accreditation, Spring 2011 - only for the accreditation, Spring 2009, Spring 2010, Spring 2011, Spring 2012, spring 2012 - acreditation, Spring 2014, Spring 2015, Spring 2016, Spring 2017, spring 2018, Spring 2019, Spring 2020.
  • Enrolment Statistics (Spring 2013, recent)
  • Permalink: https://is.muni.cz/course/sci/spring2013/C2130