S-114.260 L - Molekyylilaskenta

S-114.260 L - Molecular modeling

TKK / Yksiköt / LCE / Opetus / Kurssit / S-114.260

DPD: vesicle 1 DPD: vesicle 2 DPD: vesicle 3 DPD: vesicle 4
Snapshots from a simulation of liposome formation (roughly 86000 particles).

NOTE: If you are planning to attend this course, please send an email to the lecturer. The course may be organized in spring 2005 or fall 2005 depending on the number of students interested.

Language: English

Course Material: Andrew R. Leach, Molecular Modeling: Principles and Applications + lecture notes

Aim: The emphasis of this course is on learning the methods and underlying concepts of modeling of biomolecular systems and processes, for example lipid membranes, vesicles, DNA and proteins. The relation between theory, experiments and simulations will be discussed in detail.

Audience: This course is intended for graduate students (& advanced MSc students) in physics, chemistry and engineering. This course is part of the BioIT study programme's Computational Systems Biology (Laskennallinen systeemibiologia) & Living state physics (Elollisen aineen fysiikka) -majors/minors (optional).

Prerquisites: S-114.250 Special topics in computational science or a solid working knowledge of the most common computer simulation methods used in (bio)molecular modeling, e.g. Molecular Dynamics and Monte Carlo. Basic statistical mechanics and thermodynamics. A working knowledge of basic some programming language, e.g., C or Fortran77/90.


Mikko Karttunen
Helsinki University of Technology
Laboratory of Computational Engineering
P.O.Box 9203, FIN-02015 HUT
tel: 451 4842
email: mikko.karttunen@hut.fi
WWW: Computational soft/biological matter research