0000000000328917

AUTHOR

Juan Carlos Sánchez-rodríguez

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MuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors

2019

This report introduces the MuLiMs-MCoMPAs software (acronym for Multi-Linear Maps based on N-Metric and Contact Matrices of 3D Protein and Amino-acid weightings), designed to compute tensor-based 3D protein structural descriptors by applying two- and three-linear algebraic forms. Moreover, these descriptors contemplate generalizing components such as novel 3D protein structural representations, (dis)similarity metrics, and multimetrics to extract geometrical related information between two and three amino acids, weighting schemes based on amino acid properties, matrix normalization procedures that consider simple-stochastic and mutual probability transformations, topological and geometrical…

Theoretical computer science010304 chemical physicsbusiness.industryGeneral Chemical EngineeringComputationGeneral ChemistryTensor algebraLibrary and Information Sciences01 natural sciences0104 chemical sciencesComputer Science ApplicationsWeighting010404 medicinal & biomolecular chemistryMatrix (mathematics)Software0103 physical sciencesPrincipal component analysisData pre-processingUser interfacebusinessJournal of Chemical Information and Modeling
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