Author:
Corrado Giannantoni
Affiliation:
ENEA’s Researcher and Consultant of Duchenne Parent Project Onlus, Italy
Keyword(s):
Intractable Problems, High Performance Computing (HPC), Traditional Differential Calculus (TDC), Incipient Differential Calculus (IDC), Molecular Docking, Drug Design.
Related
Ontology
Subjects/Areas/Topics:
Bioinformatics
;
Biomedical Engineering
;
Genomics and Proteomics
;
Pharmaceutical Applications
Abstract:
In a previous paper (presented at the Third International Conference on Bioinformatics) we have shown that Protein Folding, although considered as being an “intractable” problem that would require thousands of years to be solved, in reality can be solved in less than 10 minutes when modeled in terms of Incipient Differential Calculus (IDC). Such an evaluation was specifically made with reference to Dystrophin, precisely because, being made up of about 100,000 atoms, it represents the largest protein in a human being. Consequently it can be considered as being the most significant ostensive example in the context of such Informatics problems. The present paper aims to show that the folding of Dystrophin can also be run on a simple PC in less than two hours, as a consequence of very profound “symmetry” properties of the Ordinal Matrices that characterize the mathematical model adopted. The same happens in the case of dynamic interactions, such as Molecular Docking and computer-aided Dr
ug Design, which can be obtained in absolutely comparable computation time. This is also why, by keeping the original reference to Dystrophin, we assumed Duchenne Muscular Dystrophy as the pertinent corresponding example. The paper will also point out that such advantages are strictly referable to a different gnoseological (and mathematical) approach based on the Maximum Ordinality Principle, which can be considered as being the most advanced Ordinal Self-organization Principle for living (and also non-living) Systems.
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