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Pattern recognition and massively distributed computing
A feature of Peter Kollman's research was his exploitation of the latest computational techniques to devise novel applications of the free energy perturbation method. He would certainly have seized upon the opportunities offered by massively distributed computing. Here we describe the use of ov...
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| Published in: | Journal of computational chemistry 2002-12, Vol.23 (16), p.1544-1550 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
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| cited_by | cdi_FETCH-LOGICAL-c3597-ea5b03dec089f054fe6b827115e665d89a7ea22ce854e6d5c109044c295dcc83 |
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| cites | cdi_FETCH-LOGICAL-c3597-ea5b03dec089f054fe6b827115e665d89a7ea22ce854e6d5c109044c295dcc83 |
| container_end_page | 1550 |
| container_issue | 16 |
| container_start_page | 1544 |
| container_title | Journal of computational chemistry |
| container_volume | 23 |
| creator | Davies, E. Keith Glick, Meir Harrison, Karl N. Richards, W. Graham |
| description | A feature of Peter Kollman's research was his exploitation of the latest computational techniques to devise novel applications of the free energy perturbation method. He would certainly have seized upon the opportunities offered by massively distributed computing. Here we describe the use of over a million personal computers to perform virtual screening of 3.5 billion druglike molecules against protein targets by pharmacophore pattern matching, together with other applications of pattern recognition such as docking ligands without any a priori knowledge about the binding site location. © 2002 Wiley Periodicals, Inc. J Comput Chem 23: 1544–1550, 2002 |
| doi_str_mv | 10.1002/jcc.10107 |
| format | article |
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| ispartof | Journal of computational chemistry, 2002-12, Vol.23 (16), p.1544-1550 |
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| language | eng |
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| source | Wiley-Blackwell Read & Publish Collection |
| subjects | Algorithms anthrax anti-cancer Artificial Intelligence Benzamidines - chemistry Chemical Phenomena Chemistry, Physical Computational Biology Computer Communication Networks distributed computing inhibitors Models, Molecular Pattern Recognition, Automated protein binding sites Protein Conformation screensavers Serine Proteinase Inhibitors - chemistry |
| title | Pattern recognition and massively distributed computing |
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