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Full-Text Articles in Diseases
Coevolution, Dynamics And Allostery Conspire In Shaping Cooperative Binding And Signal Transmission Of The Sars-Cov-2 Spike Protein With Human Angiotensin-Converting Enzyme 2, Gennady M. Verkhivker
Coevolution, Dynamics And Allostery Conspire In Shaping Cooperative Binding And Signal Transmission Of The Sars-Cov-2 Spike Protein With Human Angiotensin-Converting Enzyme 2, Gennady M. Verkhivker
Mathematics, Physics, and Computer Science Faculty Articles and Research
Binding to the host receptor is a critical initial step for the coronavirus SARS-CoV-2 spike protein to enter into target cells and trigger virus transmission. A detailed dynamic and energetic view of the binding mechanisms underlying virus entry is not fully understood and the consensus around the molecular origins behind binding preferences of SARS-CoV-2 for binding with the angiotensin-converting enzyme 2 (ACE2) host receptor is yet to be established. In this work, we performed a comprehensive computational investigation in which sequence analysis and modeling of coevolutionary networks are combined with atomistic molecular simulations and comparative binding free energy analysis of …
Investigating The Significance Of Aerosols In Determining The Coronavirus Fatality Rate Among Three European Countries, Wenzhao Li, Rejoice Thomas, Hesham El-Askary, Thomas Piechota, Daniele Struppa, Khaled A. Abdel Ghaffar
Investigating The Significance Of Aerosols In Determining The Coronavirus Fatality Rate Among Three European Countries, Wenzhao Li, Rejoice Thomas, Hesham El-Askary, Thomas Piechota, Daniele Struppa, Khaled A. Abdel Ghaffar
Mathematics, Physics, and Computer Science Faculty Articles and Research
The coronavirus pandemic has not only gripped the scientific community in the search for a vaccine or a cure but also in attempts using statistics and association analysis—to identify environmental factors that increase its potency. A study by Ogen (Sci Total Environ 726:138605, 2020a) explored the possible correlation between coronavirus fatality and high nitrogen dioxide exposure in four European countries—France, Germany, Italy and Spain. Meanwhile, another study showed the importance of nitrogen dioxide along with population density in determining the coronavirus pandemic rate in England. In this follow-up study, Aerosol Optical Depth (AOD) was introduced in conjunction with other variables …