Molecular dynamics simulation of the binding process of ligands to the add adenine riboswitch aptamer
Abstract
Riboswitches are RNA-structured elements that modulate gene expression through changing their conformation in response to specific metabolite binding. However, the regulation mechanisms of riboswitches by ligand binding are still not well understood. At present two possible ligand-binding mechanisms have been proposed: conformational selection and induced fit. Based on explicit-solvent molecular dynamics (MD) simulations, we have studied the...
Paper Details
Title
Molecular dynamics simulation of the binding process of ligands to the add adenine riboswitch aptamer
Published Date
Aug 21, 2019
Journal
Volume
100
Issue
2
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