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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 Variants Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms.
Xiao S, Alshahrani M, Gupta G, Tao P, Verkhivker G. Xiao S, et al. Among authors: tao p. bioRxiv [Preprint]. 2023 May 22:2023.05.20.541592. doi: 10.1101/2023.05.20.541592. bioRxiv. 2023. Update in: J Chem Inf Model. 2023 Aug 28;63(16):5272-5296. doi: 10.1021/acs.jcim.3c00778 PMID: 37292827 Free PMC article. Updated. Preprint.
Explore Protein Conformational Space With Variational Autoencoder.
Tian H, Jiang X, Trozzi F, Xiao S, Larson EC, Tao P. Tian H, et al. Among authors: tao p. Front Mol Biosci. 2021 Nov 12;8:781635. doi: 10.3389/fmolb.2021.781635. eCollection 2021. Front Mol Biosci. 2021. PMID: 34869602 Free PMC article.
784 results