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Conference publications

Voronoi–Delaune tesselation for protein-protein complexes modelling

Anashkina A. A., Tumanyan V. G.

Russia, Moscow

"Математика. Компьютер. Образование". Cб. трудов XII международной конференции. Под общей редакцией Г.Ю. Ризниченко Ижевск: Научно-издательский центр "Регулярная и хаотическая динамика", 2005. Vol. 3, 344pp. Pp. 877-889.

Revelation of amino acids, playing a crucial role in protein-protein complex formation is essential for understanding its nature. We have solved problem of automatic retrieval information about contact amino acids in protein-protein complexes by Voronoi-Delaune tessellation. Computations were carried out for 70 protein-protein complexes. Probability matrix of chance contact formation was elucidated for valuation validity of different types of the contacts. The main deviation from chance distribution is observed for contacts types Leu-Val, Leu-Phe, Leu-Leu. For complexes of concrete type (antibody-antigen) the most deviation from chance distribution is observed for contacts types Leu-Phe, Phe-Ser.



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