Tag Archives: Preludium

Extending the aspherical pseudoatom databank versatility with special attention on accurate description of electrostatics

Sławomir Bojarowski, Preludium, 22.06.2016 – 21.06.2018 PRELUDIUM 10-UMO/2015/19/N/ST4/00010 Polish National Science Center Interactions within biomolecular systems depend mostly on electrostatics. Therefore good description of this particular component is a key factor in any bio-simulations. Nowadays most of in vitro experiments are preceded by thoughtful research in silica. The accuracy of those computations is limited since… Read More »

Determination of the influence of 5′ end of RNA modifications and nucleotide or amino acid sequence on the electrostatic interaction energy of IFIT proteins with RNA

Urszula Budniak, Preludium, 17.02.2017 – 16.02.2020, Polish National Science Center Determination of structure and interaction energy is essential in the area of drug design, understanding mechanisms of biological processes and specifying structure-function relations in proteins. An inhibitor is a compound (ligand), which after binding with protein, reduces its activity, hence it can be a potential… Read More »