OASIcs.MEMICS.2010.40.pdf
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Compression of Vector Field Changing in Time
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Volume:
Sixth Doctoral Workshop on Mathematical and Engineering Methods in Computer Science (MEMICS'10) -- Selected Papers (MEMICS 2010)
Series: Open Access Series in Informatics (OASIcs) - License:
Creative Commons Attribution-NonCommercial-NoDerivs 3.0 Unported license
- Publication Date: 2011-03-11
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Tomas Golembiovsky and Ales Krenek. Compression of Vector Field Changing in Time. In Sixth Doctoral Workshop on Mathematical and Engineering Methods in Computer Science (MEMICS'10) -- Selected Papers. Open Access Series in Informatics (OASIcs), Volume 16, pp. 40-46, Schloss Dagstuhl – Leibniz-Zentrum für Informatik (2011)
https://doi.org/10.4230/OASIcs.MEMICS.2010.40
Abstract
One of the problems connected with a real-time protein-ligand docking simulation is the need to store series of precomputed electrostatic force fields of a molecule changing in time. A single frame of the force field is a 3D array of floating point vectors and it constitutes approximately 180 MB of data. Therefore requirements on storage grow rapidly if several hundreds of such frames need to be stored. We propose a lossy compression method of such force field, based on audio and video coding, and we evaluate its properties and performance.
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Keywords
- Protein-ligand docking
- vector compression
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