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Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets.
Verkhivker G, Agajanian S, Kassab R, Krishnan K. Verkhivker G, et al. Among authors: kassab r. Int J Mol Sci. 2022 Sep 29;23(19):11542. doi: 10.3390/ijms231911542. Int J Mol Sci. 2022. PMID: 36232845 Free PMC article.
Landscape-Based Protein Stability Analysis and Network Modeling of Multiple Conformational States of the SARS-CoV-2 Spike D614G Mutant: Conformational Plasticity and Frustration-Induced Allostery as Energetic Drivers of Highly Transmissible Spike Variants.
Verkhivker GM, Agajanian S, Kassab R, Krishnan K. Verkhivker GM, et al. Among authors: kassab r. J Chem Inf Model. 2022 Apr 25;62(8):1956-1978. doi: 10.1021/acs.jcim.2c00124. Epub 2022 Apr 4. J Chem Inf Model. 2022. PMID: 35377633
Frustration-driven allosteric regulation and signal transmission in the SARS-CoV-2 spike omicron trimer structures: a crosstalk of the omicron mutation sites allosterically regulates tradeoffs of protein stability and conformational adaptability.
Verkhivker GM, Agajanian S, Kassab R, Krishnan K. Verkhivker GM, et al. Among authors: kassab r. Phys Chem Chem Phys. 2022 Jul 27;24(29):17723-17743. doi: 10.1039/d2cp01893d. Phys Chem Chem Phys. 2022. PMID: 35839100
Integrating Conformational Dynamics and Perturbation-Based Network Modeling for Mutational Profiling of Binding and Allostery in the SARS-CoV-2 Spike Variant Complexes with Antibodies: Balancing Local and Global Determinants of Mutational Escape Mechanisms.
Verkhivker G, Agajanian S, Kassab R, Krishnan K. Verkhivker G, et al. Among authors: kassab r. Biomolecules. 2022 Jul 10;12(7):964. doi: 10.3390/biom12070964. Biomolecules. 2022. PMID: 35883520 Free PMC article.
Asiatic acid rescues intestinal tissue by suppressing molecular, biochemical, and histopathological changes associated with the development of ulcerative colitis.
Lokman MS, Kassab R, Salem FAM, Elshopakey GE, Hussein A, Aldarmahi AA, Theyab A, Alzahrani KJ, Hassan KE, Alsharif KF, Albrakati A, Tayyeb JZ, El-Khadragy MF, Alkhateeb MA, Al-Ghamdy AO, Althagafi HA, Abdel Moneim A, El-Hennamy RE. Lokman MS, et al. Among authors: kassab r. Biosci Rep. 2024 May 5:BSR20232004. doi: 10.1042/BSR20232004. Online ahead of print. Biosci Rep. 2024. PMID: 38699907 Free article.
219 results