Dmitri Klimov, Professor
School of Systems Biology

           Curriculum Vitae | Contact
Research Interests
BINF690 Numerical Methods in Bioinformatics
BINF740 Introduction to Biophysics
BINF739/BIOL691 Molecular Modeling for Biologists
BINF741 Introduction to Computer Simulations of Biomolecules


Dmitri Klimov

School of Systems Biology
George Mason University

10900 University Boulevard, MS 5B3
Manassas, Virginia 20110

Phone: 703-993-8395  |  Email:  |  Web:

Solvated structure of Alzheimer's Abeta oligomer obtained by computer simulations Computer simulations of biomolecules have become an important research tool, which complements both experimental and analytical studies. Computer simulations are essentially numerical experiments, which share much in common with "traditional" experiments, but also offer several important advantages. First, in contrast to "traditional" experiments, a researcher can readily probe and examine every microscopic detail of the molecular system, down to the level of individual atoms. This provides an unparallel opportunity for in-depth investigation of biomolecules. Second, computer simulations are always built on the basis of some theoretical model, which strives to describe the properties of a molecular system. Therefore, computer simulations serve as a powerful validation tool for theories. If a theory successfully captures the reality of biomolecular system, then computer simulations should reproduce experimental observations. Computer simulations can be considered as interdisciplinary art, which requires good knowledge of physical chemistry, programming, computer science, and biology.

In our laboratory we are working on two aspects of biomolecular simulations. First, we are applying various simulation methods to understand the kinetics of formation of amyloid fibril structures at molecular level. Second, we are interested in structural transitions in proteins, which are caused by the application of external mechanical force. Both directions are of immense biophysical and biomedical importance, because they may help to find therapeutic approaches against Alzheimers and other amyloid related diseases or to describe several important cellular processes, such as cell adhesion or cytoskeleton elasticity. To learn more about our research please follow the link Research Interests.

The description of my graduate courses, which are all related to computational biophysics and simulations, is available on the left panel. Starting with Spring 2006 these courses will be organized in a three semester sequel. The first course is "Introduction to biophysics" followed by "Introduction to computer simulations of biomolecules". The final course in this series is "Research topics in biomolecular simulations", which capitalizes on the first two courses and is based on individual student research projects.

If you are a student interested in pursuing the research in biomolecular simulations, feel free to contacts us.