| Issue |
ITM Web Conf.
Volume 16, 2018
AMCSE 2017 - International Conference on Applied Mathematics, Computational Science and Systems Engineering
|
|
|---|---|---|
| Article Number | 02007 | |
| Number of page(s) | 4 | |
| Section | Computers | |
| DOI | https://doi.org/10.1051/itmconf/20181602007 | |
| Published online | 09 January 2018 | |
A new off-lattice HP model with side-chains for protein folding problem
1
Department of Communication and Computer Engineering, Faculty of Engineering, University Center for Advanced Bioinformatics Research, South-West University “Neofit Rilski”, 66 Ivan Mihaylov Str., 2700 Blagoevgrad, Bulgaria
2
Institute of Mathematics and Informatics, Bulgarian Academy of Sciences, Acad. Georgi Bonchev Str., Block 8, 1113 Sofia, Bulgaria
3
Department of Electrical Engineering, Electronics and Automatics, Faculty of Engineering, University Center for Advanced Bioinformatics Research, South-West University “Neofit Rilski”, 66 Ivan Mihaylov Str., 2700 Blagoevgrad, Bulgaria
4
Department of Informatics, South-West University “Neofit Rilski”, 66 Ivan Mihaylov Str., 2700 Blagoevgrad, Bulgaria
* Corresponding author: itodorin@gmail.com
A HP like nonlinear programming model and a “brutforce” algorithm is proposed. The model takes into account highest degree of complexity – different size of radiuses of side-chains, mentioned below as radicals, and two stages of the algorithm, including random structure initially and subsequent purposeful folding process according to the physical forces and energies. The very preliminary computational runs favourably demonstrate the adequateness of the model and the efficiency of the algorithm.
© The Authors, published by EDP Sciences, 2018
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (http://creativecommons.org/licenses/by/4.0/).
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