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|Title:||A Merge-Decoupling Dead End Elimination algorithm for protein side-chain conformation|
Dead end elimination
Protein side-chain conformation prediction
|Citation:||Chong, K.F., Leong, H.W. (2007). A Merge-Decoupling Dead End Elimination algorithm for protein side-chain conformation. International Journal of Data Mining and Bioinformatics 1 (4) : 372-388. ScholarBank@NUS Repository. https://doi.org/10.1504/IJDMB.2007.012966|
|Abstract:||Dead End Elimination (DEE) is a technique for eliminating rotamers that can not exist in any global minimum energy configuration for the protein side chain conformation problem. A popular method is Simple Goldstein DEE (SG-DEE) which is fast and eliminates rotamers by considering single residues for possible elimination. We present a Merge-Decoupling DEE (MD-DEE) that further reduces the number of rotamers after SG-DEE. MD-DEE works by forming residue-pairs but is fast and, like SG-DEE, is practical even for large proteins. Our experiments show that MD-DEE achieves further reduction in residue elimination (up to 25%) after SG-DEE. Copyright © 2007 Inderscience Enterprises Ltd.|
|Source Title:||International Journal of Data Mining and Bioinformatics|
|Appears in Collections:||Staff Publications|
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