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Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variant Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms.

Sian XiaoMohammed AlshahraniGrace GuptaPeng TaoGennady Verkhivker
Published in: J. Chem. Inf. Model. (2023)
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