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http://hdl.handle.net/10609/64588
| Title: | Solució d'alt rendiment per a química computacional |
| Author: | Herrero Roselló, Albert |
| Director: | Rodero Castro, Ivan |
| Tutor: | Jorba i Esteve, Josep |
| Others: | Universitat Oberta de Catalunya |
| Keywords: | CUDA scientific software OpenMP Bioinformatics -- TFM |
| Issue Date: | 14-Jun-2017 |
| Publisher: | 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. |
| Language: | Catalan |
| URI: | http://hdl.handle.net/10609/64588 |
| Appears in Collections: | Trabajos finales de carrera, trabajos de investigación, etc. |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| alberthTFM0617memoria.pdf | Memòria del TFM | 4,06 MB | Adobe PDF |  View/Open |
| alberthTFM0617presentació.pdf | Presentació en PPT de la memòria | 876,98 kB | Adobe PDF |  View/Open |
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