A database storing data on atomic packing densities of RNA structures and complexes. Compared to other methods, that solely estimate van der Waals interactions i.e. by gain of solvent excluded surfaces, Voronoia4RNA allocates the free space between neighbouring atoms. It explicitly takes packing defects into consideration and is therefore an appropriate method to calculate van der Waals interactions and to estimate the underlying forces.
Charité, Institute of Medical Physics and Biophysics, Proteinformatics Group, Ziegelstr; Institute of Biochemistry, Computational Systems Biochemistry Group, Berlin, Germany; Laboratory of Structural Bioinformatics, Institute of Biology and Molecular Biotechnology, Adam Mickiewicz University, Poznan, Poland
Voronoia4RNA funding source(s)
Deutsche Forschungsgemeinschaft [DFG HI 1502/1-1, SFB 740] and European Research Council [ERC Advanced Grant TUDOR]