Getting poster data...
Rafal D. Urniaz (Medical University of Lublin ,Lublin, Poland)There exists a deep need for computational methods that accurately represent the spatial relationships between different structures, such as molecules and ligands. To cater this demand, the Direct APD-RMSD analysis was developed. The approach incorporates two different types of descriptors: the angle-plane deviation (APD) and root-mean-square deviation (RMSD). Due to, the power of synergic description of angles and distance, the conformational changes can be better described. The method was validated and successfully applied to parameterize the regulation model of the glucokinase (GCK) and its regulatory protein (GCKR). The analysis was implemented in dedicated computational environment called Grow_4. The Grow_4 is a platform integrating molecular modeling and bioinformatic tools in an easy and intuitive way. It was founded by Rafal Urniaz and subsequently it is developed at Medical University of Lublin.