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Docking of lowmolecular ligands on the plant FtsZprotein with application of CUDAaccelerated calculations

Demchuk O.M., Karpov P.A., Blume Ya.B.

 




SUMMARY. This article provides review and analysis of opportunities for application of the CUDA technology for acceleration of computations in structural biology and bioinformatics. On the example of work with the Hex 6.1 program, comparative analysis of increase in the speed and quality of results of hard-docking of a number of low-molecular compounds on the surface of the FtsZ protein from Arabidopsis thaliana was performed. Several potential benzimidazole – plant FtsZ protein binding sites were identified.

Tsitologiya i Genetika 2012, vol. 46, no. 3, pp. 55-64

E-mail: demom79 gmail.com

Demchuk O.M., Karpov P.A., Blume Ya.B. Docking of lowmolecular ligands on the plant FtsZprotein with application of CUDAaccelerated calculations, Tsitol Genet., 2012, vol. 46, no. 3, pp. 55-64.




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