Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors

Protein allosteric site identification using machine learning and per amino acid residue reported internal protein nanoenvironment descriptors

Allosteric regulation plays a crucial role in modulating protein functions and represents a promising strategy in drug development, offering enhanced specificity and reduced toxicity compared to traditional active site inhibition. Existing computational methods for predicting allosteric sites on pro...

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Bibliographic Details
Main Authors: Folorunsho Bright Omage, José Augusto Salim, Ivan Mazoni, Inácio Henrique Yano, Luiz Borro, Jorge Enrique Hernández Gonzalez, Fabio Rogerio de Moraes, Poliana Fernanda Giachetto, Ljubica Tasic, Raghuvir Krishnaswamy Arni, Goran Neshich
Format: Article
Language:English
Published: Elsevier 2024-12-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Allosteric sites
Machine learning
Protein structure analysis
Computational drug design
Internal protein nanoenvironment
STING descriptors
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037024003556
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