Interrelations between crystal architecture, charge density and energy of uracil derivatives

New version of the theoretical databank of transferable aspherical pseudoatoms, UBDB2011 - towards nucleic acid modelling

The extended theoretical databank of aspherical pseudoatoms (UBDB2011) and the related LSDB program are presented. The applicability of the databank to electrostatic energy estimation for chemical systems containing nucleic base and amino-acid fragments was extensively tested.

Electrostatic interactions and sequence recognition by Zinc Fingers

Structural and energetic landscape of diboronic acids