Protein Transition Pathway Generation Guided by Internal Coordinate Normal Modes
Abstract
Proteins function properly through their conformational changes caused by low-frequency and large-amplitude motions. Therefore, to elucidate the underlying mechanisms of proteins, it is inevitable to understand their vibrational motions and, by extension, conformational changes. For this, normal mode analysis (NMA) has been widely used as a powerful simulation tool to capture the vibrational properties in proximity to the equilibrium state....
Paper Details
Title
Protein Transition Pathway Generation Guided by Internal Coordinate Normal Modes
Published Date
Feb 1, 2020
Journal
Volume
118
Issue
3
Pages
303a - 303a
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Notes
History