dr Rafał Ślusarz

The main current of my research interests is focused on the practice of correctly reflecting the theory of molecular mechanisms of action of drugs and active substances against selected fragments of the bacterial cell wall.
Using molecular modeling tools, supported by elements of quantum mechanics, I try to answer the basic questions about why a drug is effective at treating infection with a given bacterium, and how it happens that a bacterium becomes immune to that particular drug.

I am currently working on vancomycin and its interactions with fragments of the Staphylococcus aureus cell wall. By constructing appropriate models, by means of computer simulations (using mainly molecular dynamics) I find specific interactions that occur between vancomycin and fragments of the cell wall of S. aureus, also such mutated bacteria - against which vancomycin has ceased to be effective. In turn, I am trying to build such modified "versions" of vancomycin (its analogues), which in simulations will show sufficient affinity to the tested representative of the S. aureus cell wall, so that it can be expected that this vancomycin analog will be effective in treating infections caused by the mutant bacterium.

Information for those willing to cooperate as part of the diploma workshop (at the first level of studies) or diploma thesis (at the second level):
The tools used for these simulations, their manuals, input and output files are written in english. Therefore, besides the (basic, very basic) familiarity of:

• theoretical chemistry
• numerical methods
• high-level interpreted programming language or shell scripting

a knowledge of english language is required.

The work carried out during the diploma workshop consists in conducting computer simulations of specific systems with known or expected biological activity.
I provide all the necessary tools and instructions. Access to your own computer will make your work much easier (independent of the availability of terminals in the Studio).
Before you decide to join the cooperation, you can, of course, talk to me about possible topics and how to do the work. I cordially invite you!