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Machine learning and protein allostery.
Xiao S, Verkhivker GM, Tao P. Xiao S, et al. Trends Biochem Sci. 2023 Apr;48(4):375-390. doi: 10.1016/j.tibs.2022.12.001. Epub 2022 Dec 21. Trends Biochem Sci. 2023. PMID: 36564251 Free PMC article. Review.
PASSer: Prediction of Allosteric Sites Server.
Tian H, Jiang X, Tao P. Tian H, et al. Mach Learn Sci Technol. 2021 Sep;2(3):035015. doi: 10.1088/2632-2153/abe6d6. Epub 2021 May 13. Mach Learn Sci Technol. 2021. PMID: 34396127 Free PMC article.
Allosteric control of ACE2 peptidase domain dynamics.
Trozzi F, Karki N, Song Z, Verma N, Kraka E, Zoltowski BD, Tao P. Trozzi F, et al. Org Biomol Chem. 2022 May 4;20(17):3605-3618. doi: 10.1039/d2ob00606e. Org Biomol Chem. 2022. PMID: 35420112 Free PMC article.
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. 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
Directed kinetic transition network model.
Zhou H, Wang F, Bennett DIG, Tao P. Zhou H, et al. J Chem Phys. 2019 Oct 14;151(14):144112. doi: 10.1063/1.5110896. J Chem Phys. 2019. PMID: 31615261 Free PMC article.
33 results