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Title:
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PARALLEL BACKTRACKING FOR THE STUDY
OF THE HYDROPHOBIC-POLAR MODEL |
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Author(s):
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Ioan Sima and Daniela-Maria Cristea |
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ISBN:
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978-989-8704-34-4 |
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Editors:
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Pedro Isaías and Hans Weghorn |
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Year:
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2021 |
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Edition:
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Single |
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Type:
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Full |
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First Page:
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109 |
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Last Page:
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116 |
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Language:
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English |
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Cover:
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Full Contents:
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click to dowload 
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Paper Abstract:
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Proteins are the molecular machines that underlie the functioning of living organisms. Without knowing the
three-dimensional structure and sequence of the proteins, their functions cannot be predicted. The protein structure
prediction consists in finding one of a huge number of conformations. For that, the hydrophobic-polar (HP) model was
considered. Although the backtracking algorithm is not suitable for the analysis of exponentially sized spaces, we apply it
in a parallel variant. By applying techniques to reduce conformational space and decrease computational time, we
obtained all conformations for several sequences known in the literature and for kappa-Hefutoxin1, a real protein in
scorpion venom. The purpose of this type of research is to understand the structure of combinatorial space. The analysis
of the obtained conformations shows that they are arranged in a certain order in the combinatorial hypercube. |
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