Computational modeling of cAMP­-dependent protein kinase allostery

Allosteric regulation by ATP of peptide binding with a cAMP-dependent protein kinase catalytic subunit was com­putationally modeled by combining conventional docking analysis and molecular dynamics calculations. It was found that the peptide docking energy was dependent on peptide structure, and, m...

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Bibliographic Details
Main Authors: Andrei Izvolski, Aleksei Kuznetsov
Format: Article
Language:English
Published: Estonian Academy Publishers 2023-11-01
Series:Proceedings of the Estonian Academy of Sciences
Subjects:
Online Access:https://kirj.ee/wp-content/plugins/kirj/pub/proc-4-2023-393-401_20231116150735.pdf