Molecular Simulations


Recommended prerequisite for participation in the module

The module builds on knowledge obtained in the area of Organic Chemistry, Protein Physics, Basic Quantum Mechanics, and Physical Chemistry.

Content, progress and pedagogy of the module

Students who complete the module: will have gained skills in the up to date computer modeling techniques of molecular dynamics and analysis of in silico modeled protein, peptide and membrane structures and function.

Learning objectives


• Must have knowledge about modern force fields.
• Must have knowledge about protein folding and function.
• Must have knowledge about the general building blocks of proteins and their chemistry.
• Must be able to evaluate protein structures.
• Must be able to apply the principals of protein structures and functions to real problems.


• Must be able to apply principals of Molecular dynamics simulations to real problems.
• Must be able to evaluate modeled protein structures and function.
• Must be able to apply the properties and chemistry of the aminoacids to real world problems.
• Must be able to evaluate results from molecular dynamics simulations.


• Must have a basic understanding of molecular modelling.
• Must have a general understanding of the physics of protein dynamics and force field based modeling strategies.
• Must have a general knowledge molecular simulations.

Type of instruction

Lectures with accompanying problem solving session.

Extent and expected workload

This is a 5 ECTS course module and the work load is expected to be 150 hours for the student.



Name of examMolecular Simulations
Type of exam
Active participation/continuous evaluation
The re-exam will be written or oral.
AssessmentPassed/Not Passed
Type of gradingInternal examination
Criteria of assessmentThe criteria of assessment are stated in the Examination Policies and Procedures

Facts about the module

Danish titleMolekylær simulering
Module codeM-NB-K1-4
Module typeCourse
Duration1 semester
Language of instructionEnglish
Empty-place SchemeYes
Location of the lectureCampus Aalborg
Responsible for the module


Study BoardStudy Board of Mechanical Engineering and Physics
DepartmentDepartment of Materials and Production
FacultyThe Faculty of Engineering and Science