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PDT - Protein Docking Tool


Parallel Protein Docking Tool (PPTP) system is performing a shape based process of protein docking

using spherical harmonics. The software is made from the scratch in C++. Input data are two PDB

(Protein Data Bank) les and desired docking parameters. The PDB les hold informa

tion about coordination of protein atoms in three dimensional space. Protein structures are transformed

with spherical functions which allow fast rotation and translation of 3D shapes in space. By translation

and rotation (with a given resolution of angles and distance) the surface complementarity is tested for

each orientation of two proteins in 3D space. The orientations are then ranked according to the given

scores. The output PDB le now holds orientations with best scores ready for visualization. As a part

of the system the tool for visualization of molecules is developed. It's purpose is to provide a

visualization of molecule structure in all phases of protein docking process. The visualizator also

allows interactive translation and rotation of input proteins and evaluation of their complementarity

in real time.


Developer team:

Nino Antulov-Fantulin

Igor Čanadi

Matija Piškorec

Ivan Sović

Project Leader:

Mile Šikić




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