title: [Docking of low-molecular ligands on the plant FtsZ-protein with application of CUDA-accelerated calculations].
abstract: 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.
authors.forename: O N
authors.initials: ON
authors.lastname: Demchuk
authors.forename: P A
authors.initials: PA
authors.lastname: Karpov
authors.forename: Ia B
authors.initials: IaB
authors.lastname: Blium
mesh_terms: D000465:Algorithms; D000577:Amides / Q000737:chemistry / Q000378:metabolism; D000814:Aniline Compounds / Q000737:chemistry / Q000378:metabolism; D017360:Arabidopsis / Q000737:chemistry*; D029681:Arabidopsis Proteins / Q000737:chemistry* / Q000378:metabolism; D001562:Benzimidazoles / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D019295:Computational Biology; D003198:Computer Simulation; D008958:Models, Molecular; D063088:Phosphoramides; D010756:Phosphoric Acids / Q000737:chemistry / Q000378:metabolism; D011485:Protein Binding; D012984:Software
chemical_list: D000577:Amides; D000814:Aniline Compounds; D029681:Arabidopsis Proteins; D001562:Benzimidazoles; C095113:FTSZ protein, Arabidopsis; D063088:Phosphoramides; D010756:Phosphoric Acids; C005438:phosphoramide