"Markov State Models and Perturbation-Based Approaches Reveal Distinct ..."

Sian Xiao et al. (2023)

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DOI: 10.1021/ACS.JCIM.3C00778

access: closed

type: Journal Article

metadata version: 2023-10-14

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  - https://dblp.org/rec/journals/jcisd/XiaoAGTV23
Sian Xiao, Mohammed Alshahrani, Grace Gupta, Peng Tao, Gennady Verkhivker:
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. J. Chem. Inf. Model. 63(16): 5272-5296 (2023)

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