BiophysicsJournal of Computational ChemistryPeer-reviewed
Microsecond Molecular Dynamics Simulations and Markov State Models of Mutation-Induced Allosteric Mechanisms for the Light-Oxygen-Voltage 2 Protein : Revealing Structural Basis of Signal Transmission Induced by Photoactivation of the Light Protein State
Sian Xiao, Mayar Tarek Ibrahim, Gennady M. Verkhivker…·Peng Tao
This study uses molecular dynamics simulations and Markov state models to analyze mutation-induced allostery in AsLOV2, identifying key β-sheet interactions critical for signal transmission during photoactivation.