Naplni teto prace je urcit sılu a puvod stabilizace ruznych typu nekovalentnıch interakcı, a to z duvodu, ze by jejich znalost mohla vest k racionalizaci a hlubsımu pochopenı vazebnıch motivu. Dale, podılet se na vyvoji novych nekovalentnıch datasetu, ktere jsou v soucasne dobe nenahraditelne v procesu parametrizace a testovanı novych vypocetnıch metod.
Předběžná náplň práce v anglickém jazyce
The aim of this thesis is to investigate strength and origin of the stabilization for various types of noncovalent interactions. As this knowledge could lead to a deeper understanding and rationalization of the binding phenomena. Further, to participate on the development of new noncovalent data sets, which are nowadays inevitable in the process of parametrization and validation of new computational methods.
- zadáno a potvrzeno stud. odd.