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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.
Xiao S, Alshahrani M, Gupta G, Tao P, Verkhivker G. Xiao S, et al. Among authors: tao p. J Chem Inf Model. 2023 Aug 28;63(16):5272-5296. doi: 10.1021/acs.jcim.3c00778. Epub 2023 Aug 7. J Chem Inf Model. 2023. PMID: 37549201
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.
735 results