Molecular Dynamics Investigation of Phenolic Oxidative Coupling Protein Hyp-1 Derived from <i>Hypericum perforatum</i>

Molecular Dynamics Investigation of Phenolic Oxidative Coupling Protein Hyp-1 Derived from <i>Hypericum perforatum</i>

Molecular dynamics (MD) simulations provide a physics-based approach to understanding protein structure and dynamics. Here, we used this intriguing tool to validate the experimental structural model of Hyp-1, a pathogenesis-related class 10 (PR-10) protein from the medicinal herb <i>Hypericum...

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Bibliographic Details
Main Authors: Joanna Smietanska, Tomasz Kozik, Radoslaw Strzalka, Ireneusz Buganski, Janusz Wolny
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Crystals
Subjects:
molecular dynamics simulation
Hyp-1 protein
rotamers
B-factors
thermal motions
Online Access:https://www.mdpi.com/2073-4352/11/1/43

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