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Digital Library of the
European Council for Modelling and Simulation |
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Title: |
Space-Partition Based Identification Of Protein Docksites |
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Authors: |
Ling Wei Lee, Andrzej Bargiela |
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Published in:
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(2009).ECMS
2009 Proceedings edited by J. Otamendi, A. Bargiela, J. L. Montes, L. M. Doncel
Pedrera. European Council for Modeling and
Simulation. doi:10.7148/2009 ISBN: 978-0-9553018-8-9 23rd
European Conference on Modelling and Simulation, Madrid, June
9-12, 2009 |
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Citation
format: |
Lee, L. W., & Bargiela, A. (2009). Space-Partition Based Identification
Of Protein Docksites. ECMS 2009 Proceedings edited
by J. Otamendi, A. Bargiela,
J. L. Montes, L. M. Doncel Pedrera (pp. 848-854). European Council for
Modeling and Simulation. doi:10.7148/2009-0848-0854 |
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DOI: |
http://dx.doi.org/10.7148/2009-0848-0854 |
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Abstract: |
A new method for identifying
protein docksites is presented here. We introduce a
space-partition based technique for evaluating the binding areas of a protein
and present the final output in a 3-dimensional environment. The experimental
space is tessellated through bi-partitions and the occupancy of each atom
within the tessellations is approximated using evaluated constraints. A
series of preprocessing steps are taken to ensure that the subject of experiment
is independent of orientations and thus gives reproducible results. The final
modelling of the protein shows the docksites granulated using a compactness criterion.
Controls of the compactness limit the clusters of binding sites to be
displayed on the 3D projections with more prominent areas linked to a higher
compactness of 3D structures. |
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