Høst 2024

KJE-3106 Biomolecular modelling - 10 stp

The course is administrated by

Institutt for kjemi

Type of course

Theoretical and practical course. The course is available as a singular or elective course independent of study program, also to exchange students. The course is offered on condition that a minimum number of students register for the course.

Course overlap

KJE-3001 Interdisciplinary molecular sciences: From quantum mechanics to medicine 10 ects

Course contents

Computer modeling and simulations have now become important tools to study complex systems in many areas of chemistry and biology. With todays high performance computers and advanced software it is possible to study the atomic level details of ribosomes and virus capsids, and to explore biological function with computational modeling. Computational modeling is frequently used to obtain novel insights into ligand binding and design, protein folding, enzyme catalysis and protein-membrane interactions. The course will introduce the basic concepts of computer modeling techniques with main focus on molecular interactions:

Intermolecular forces
Molecular mechanics
Energy minimization
Molecular dynamics simulations
Monte Carlo simulations
Solvation models
Free energy calculations and ligand binding
Enzyme catalysis

Admission requirements

Required:

A bachelor degree in chemistry or equivalent, with a grade C or better in the Norwegian grading system

Recommended:

KJE-1005, or equivalent

Søknadskode 9336 enkeltemner i realfag.

Objective of the course

The student will have acquired a solid and broad theoretical basis to understand and carry out biomolecular modelling chemistry. This means that the student

Knowledge

Understands the principles of biomolecular modelling
Has knowledge of how to apply biomolecular modelling methods
Understands the limitation of biomolecular modelling

Skills

can discuss and evaluate theoretical predictions with experimental data
can conduct independent modeling of binding affinities
can make models of biological complexes
can analyze the results from the biomolecular modelling data

Competence

understands the relationship between molecular structure and function in biological systems
can apply his/her knowledge and skills to solve relevant problems
has knowledge to search the literature to present a chosen subject at the research front both written and orally
can write concise reports
can communicate both in writing and orally terms, theories and problems related to the methods

Language of instruction

The language of instruction is English and all syllabus material is in English.

Teaching methods

Lectures: 30 h

Seminars/exercises: 40 h