The coronavirus pandemic is caused by intense acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Identifying the atomic structure of this virus can lead to the treatment of related diseases in medical cases. In the current computational study, the atomic evolution of the coronavirus in an aqueous environment using the Molecular Dynamics (MD) approach is explained. The virus behaviors by reporting the physical attributes such as total energy, temperature, potential energy, interaction energy, volume, entropy, and radius of gyration of the modeled virus are reported. The MD results indicated the atomic stability of the simulated virus significantly reduced after 25.33 ns. Furthermore, the volume of simulated virus changes from 182397 Å3 to 372589 Å3 after t = 30 ns. This result shows the atomic interaction between various atoms in coronavirus structure decreases in the vicinity of H2O molecules. Numerically, the interaction energy between virus and aqueous environment converges to -12387 eV and -251 eV values in the initial and final time steps of the MD study procedure, respectively.
This manuscript addressing the dynamics of fractal-fractional type modified SEIR model under Atangana-Baleanu Caputo (ABC) derivative of fractional order y and fractal dimension p for the available data in Pakistan. The proposed model has been investigated for qualitative analysis by applying the theory of non-linear functional analysis along with fixed point theory. The fractional Adams-bashforth iterative techniques have been applied for the numerical solution of the said model. The Ulam-Hyers (UH) stability techniques have been derived for the stability of the considered model. The simulation of all compartments has been drawn against the available data of covid-19 in Pakistan. The whole study of this manuscript illustrates that control of the effective transmission rate is necessary for stoping the transmission of the outbreak. This means that everyone in the society must change their behavior towards self-protection by keeping most of the precautionary measures sufficient for controlling covid-19.