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publications:publi:gahmlc07pdp [2019/04/25 08:49]
publications:publi:gahmlc07pdp [2019/09/12 08:51] (current)
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 +<p> <h1> GaHMLC07pdp</​h1>​
 + <​p><​span class="​BibAuthor">​J.I. Garzon, E. Huedo, R.S. Montero, I.M. Llorente, P. Chacon</​span>​. <span class="​BibInProceedingsTitle">​Grid Multi-Resolution Docking</​span>​. In <span class="​BibInProceedingsBooktitle">​15th EUROMICRO International Conference on Parallel, Distributed and Network-Based Processing (PDP 2007)</​span>,​ Pages 3-10, 2007.</​P><​p>​
 +<p>
 +<a name="​abstract"></​a><​h2>​ Abstract ​ </h2> <​P> ​
 +Detailed knowledge of macromolecular structure is essential for the understanding of how the cellular machines work. Rigid body fitting is the common way to interpret the information contained in a 3D electron microscope (3DEM) medium-low resolution map in terms of its available atomic structural components. This fitting process, termed multi-resolution docking, consists in localizing atomic resolution structures into the 3DEM map by means of an exhaustive search of all possible relative rotations and translations. This exhaustive search is a highly computing demanding process and several search queries are also typically needed to select good fitting structures. Here, we present a novel and efficient Grid approach for performing these docking searches. This approach has been designed over the Gridway meta-scheduler. Results showing the high efficiency achieved are discussed together with the corresponding analysis of the performance obtained. The experiments were conducted on a Grid testbed built up from resources inside EGEE (LCG version of the pre-WS Globus components),​ the European production-level grid infrastructure,​ and resources from a research testbed based on the Globus Toolkit 4 (Web services components)<​p>​
 + <a name="​keyword"></​a>​ <​h2>​Keywords </h2> <p> [ <a href="/​doku.php?​id=publications:​keyword:​gridway">​Gridway</​a>​ ] [ <a href="/​doku.php?​id=publications:​keyword:​grid">​ Grid</​a>​ ] [ <a href="/​doku.php?​id=publications:​keyword:​tic2003-01321">​ Tic2003-01321</​a>​ ] [ <a href="/​doku.php?​id=publications:​keyword:​egee">​ Egee</​a>​ ] 
 +<a name="​contact"></​a><​h2>​ Contact ​ </h2> <​P> ​
 +<a href="​mailto:​ehuedo@fdi.ucm.es">​Eduardo ​ Huedo</​a> ​ <a href="/​ehuedo">​ <img src="/​lib/​exe/​fetch.php?​w=&​h=&​cache=cache&​media=html_icon.png"​ align=top border=0 alt =""></​a><​br> ​
 +<a href="​mailto:​rubensm@dacya.ucm.es">​Ruben S.  Montero</​a> ​ <a href="/​doku.php?​id=people:​ruben">​ <img src="/​lib/​exe/​fetch.php?​w=&​h=&​cache=cache&​media=html_icon.png"​ align=top border=0 alt =""></​a><​br> ​
 +<a href="​mailto:​llorente@dacya.ucm.es">​Ignacio M.  Llorente</​a> ​ <a href="/​llorente">​ <img src="/​lib/​exe/​fetch.php?​w=&​h=&​cache=cache&​media=html_icon.png"​ align=top border=0 alt =""></​a><​br> ​
 +
 +<a name="​bib"></​a><​h2>​ BibTex Reference ​ </h2> <​P> ​
 +@InProceedings{GaHMLC07pdp,​ <​br>&​nbsp;&​nbsp;&​nbsp;​Author = {Garzon, J.I. and Huedo, E. and Montero, R.S. and Llorente, I.M. and Chacon, P.},<​br>&​nbsp;&​nbsp;&​nbsp;​Title = {Grid Multi-Resolution Docking},<​br>&​nbsp;&​nbsp;&​nbsp;​BookTitle = {15th EUROMICRO International Conference on Parallel, Distributed and Network-Based Processing (PDP 2007)},<​br>&​nbsp;&​nbsp;&​nbsp;​Pages = {3--10},<​br>&​nbsp;&​nbsp;&​nbsp;​Year = {2007}<​br>​} <​br><​p>​
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