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Title: Solució d'alt rendiment per a química computacional
Author: Herrero Roselló, Albert
Director: Rodero, Ivan  
Tutor: Jorba, Josep  
Others: Universitat Oberta de Catalunya
Abstract: The purpose of this report is to explain the PharmScreeen acceleration procedure, a scientific software developed by the company Pharmacelera. PharmScreen is a virtual screening tool involved in early stage drug discovery. Thanks to its highly accurate algorithm, based on interaction fields, the software can find potential active compounds endowed with high chemical diversity. The document explains techniques, technologies (Cuda, OpenMP, SEE/AVX) and tools used in the acceleration process and presents a broad range of results obtained when running the solutions on different platforms.
Keywords: CUDA
scientific software
Bioinformatics -- TFM
Document type: info:eu-repo/semantics/masterThesis
Issue Date: 14-Jun-2017
Publication license:  
Appears in Collections:Trabajos finales de carrera, trabajos de investigación, etc.

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alberthTFM0617memoria.pdfMemòria del TFM4,06 MBAdobe PDFThumbnail
alberthTFM0617presentació.pdfPresentació en PPT de la memòria876,98 kBAdobe PDFThumbnail