Projektnummer

0050267

Zusammenfassung

Nucleic acids are involved in a variety of biological processes. Often the function of RNA and its interaction with ligands is mediated by nonhelical structural motifs such as bulges, internal or hairpin loops. These conformational structures and their dynamics cannot be detected using standard molecular dynamics simulations since this method allows only the imitation of nanosecond processes. During this time frame not all relevant molecular states are found. Therefore, the project aims at developing a new typ of 'replica exchange'-method to improve the sampling of conformational subst...