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Immunogenomics guided design of immunomodulatory multi-epitope subunit vaccine against the SARS-CoV-2 new variants, and its validation through in silico cloning and immune simulation.
Khan A, Khan S, Saleem S, Nizam-Uddin N, Mohammad A, Khan T, Ahmad S, Arshad M, Ali SS, Suleman M, Wei DQ. Khan A, et al. Among authors: khan s, khan t. Comput Biol Med. 2021 Jun;133:104420. doi: 10.1016/j.compbiomed.2021.104420. Epub 2021 Apr 24. Comput Biol Med. 2021. PMID: 33930764 Free PMC article.
Structural-Dynamics and Binding Analysis of RBD from SARS-CoV-2 Variants of Concern (VOCs) and GRP78 Receptor Revealed Basis for Higher Infectivity.
Khan A, Mohammad A, Haq I, Nasar M, Ahmad W, Yousafi Q, Suleman M, Ahmad S, Albutti A, Khan T, Marafie SK, Alshawaf E, Ali SS, Abubaker J, Wei DQ. Khan A, et al. Among authors: khan t. Microorganisms. 2021 Nov 11;9(11):2331. doi: 10.3390/microorganisms9112331. Microorganisms. 2021. PMID: 34835456 Free PMC article.
Computational modelling of potentially emerging SARS-CoV-2 spike protein RBDs mutations with higher binding affinity towards ACE2: A structural modelling study.
Khan A, Hussain S, Ahmad S, Suleman M, Bukhari I, Khan T, Rashid F, Azad AK, Waseem M, Khan W, Hussain Z, Khan A, Ali SS, Qin Q, Wei DQ. Khan A, et al. Among authors: khan t, khan w. Comput Biol Med. 2022 Feb;141:105163. doi: 10.1016/j.compbiomed.2021.105163. Epub 2021 Dec 30. Comput Biol Med. 2022. PMID: 34979405 Free PMC article.
The Omicron (B.1.1.529) variant of SARS-CoV-2 binds to the hACE2 receptor more strongly and escapes the antibody response: Insights from structural and simulation data.
Khan A, Waris H, Rafique M, Suleman M, Mohammad A, Ali SS, Khan T, Waheed Y, Liao C, Wei DQ. Khan A, et al. Among authors: khan t. Int J Biol Macromol. 2022 Mar 1;200:438-448. doi: 10.1016/j.ijbiomac.2022.01.059. Epub 2022 Jan 19. Int J Biol Macromol. 2022. PMID: 35063482 Free PMC article.
Blocking key mutated hotspot residues in the RBD of the omicron variant (B.1.1.529) with medicinal compounds to disrupt the RBD-hACE2 complex using molecular screening and simulation approaches.
Khan A, Randhawa AW, Balouch AR, Mukhtar N, Sayaf AM, Suleman M, Khan T, Ali S, Ali SS, Wang Y, Mohammad A, Wei DQ. Khan A, et al. Among authors: khan t. RSC Adv. 2022 Mar 4;12(12):7318-7327. doi: 10.1039/d2ra00277a. eCollection 2022 Mar 1. RSC Adv. 2022. PMID: 35424688 Free PMC article.
2,656 results