| State of the art computational methods are utilized to study structure, dynamics and molecular interactions of a wide range of DNA and RNA molecules. The primary aim of our projects is to unravel the basic principles governing the formation of three-dimensional biomolecular structures, to complement the information obtained by atomic-resolution experimental techniques and to rationalize biological functions of DNA and RNA at the atomic level of description. We use large-scale explicit solvent molecular dynamics simulations, advanced ab initio quantum-chemical methods, other modern techniques such as Locally enhanced sampling, thermodynamics calculations, conformational search methods, database studies, etc. The current projects deal for example with key ribosomal RNA motifs, DNA quadruplexes, complexes of nucleic acids with drugs and proteins, catalytic ribozymes, metal cation - nucleic acids interactions and other systems of biological relevance. We closely cooperate with leading laboratories around the globe. |
