PeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints

Simple item page
dc.contributor.authorBarigye, Stephen J.
dc.contributor.authorGómez-Ganau, Sergi
dc.contributor.authorSerrano-Candelas, Eva
dc.contributor.authorGozalbes, Rafael
dc.date.accessioned2023-02-09T16:42:06Z
dc.date.available2023-02-09T16:42:06Z
dc.date.issued2021
dc.description.abstractWe present a novel Java-based program denominated PeptiDesCalculator for computing peptide descriptors. These descriptors include: redefinitions of known protein parameters to suite the peptide domain, generalization schemes for the global descriptions of peptide characteristics, as well as empirical descriptors based on experimental evidence on peptide stability and interaction propensity. The PeptiDesCalculator software provides a user-friendly Graphical User Interface (GUI) and is parallelized to maximize the use of computational resources available in current work stations. The PeptiDesCalculator indices are employed in modeling 8 peptide bioactivity endpoints demonstrating satisfactory behavior. Moreover, we compare the performance of a support vector machine (SVM) classifier built using 15 PeptiDesCalculator indices with that of a recently reported deep neural network (DNN) antimicrobial activity classifier, demonstrating comparable test set performance notwithstanding the remarkably lower degree of freedom for the former. This software will facilitate the development of in silico models for the prediction of peptide properties.en_US
dc.identifier.citationBarigye, S. J., Gómez‐Ganau, S., Serrano‐Candelas, E., & Gozalbes, R. (2021). PeptiDesCalculator: software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints. Proteins: Structure, Function, and Bioinformatics, 89(2), 174-184.https://doi.org/10.1002/prot.26003en_US
dc.identifier.urihttps://nru.uncst.go.ug/handle/123456789/7697
dc.language.isoenen_US
dc.publisherProteins: Structure, Function, and Bioinformaticsen_US
dc.subjectantimicrobialen_US
dc.subjectmachine learningen_US
dc.subjectpeptideen_US
dc.subjectPeptiDesCalculatoren_US
dc.titlePeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpointsen_US
dc.typeArticleen_US
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
PeptiDesCalculator Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints.pdf
Size:
1.72 MB
Format:
Adobe Portable Document Format
Description:
PeptiDesCalculator: Software for computation of peptide descriptors. Definition, implementation and case studies for 9 bioactivity endpoints
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Engineering and Technology