A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV-2 Pandemic Threats DOI Creative Commons
Lorenzo Casalino, Carlos A. Ramos‐Guzmán, Rommie E. Amaro

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: unknown, P. 3249 - 3263

Published: March 21, 2025

Molecular simulations play important roles in understanding the lifecycle of SARS-CoV-2 virus and contribute to design development antiviral agents diagnostic tests for COVID. Here, we discuss insights that such have provided challenges involved, focusing on main protease (Mpro) spike glycoprotein. Mpro is leading target antivirals, while glycoprotein vaccine design. Finally, reflect lessons from this pandemic simulation community. Data sharing initiatives collaborations across international research community contributed advancing knowledge should be built help future pandemics other global as antimicrobial resistance.

Language: Английский

A Reflection on the Use of Molecular Simulation to Respond to SARS-CoV-2 Pandemic Threats DOI Creative Commons
Lorenzo Casalino, Carlos A. Ramos‐Guzmán, Rommie E. Amaro

et al.

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: unknown, P. 3249 - 3263

Published: March 21, 2025

Molecular simulations play important roles in understanding the lifecycle of SARS-CoV-2 virus and contribute to design development antiviral agents diagnostic tests for COVID. Here, we discuss insights that such have provided challenges involved, focusing on main protease (Mpro) spike glycoprotein. Mpro is leading target antivirals, while glycoprotein vaccine design. Finally, reflect lessons from this pandemic simulation community. Data sharing initiatives collaborations across international research community contributed advancing knowledge should be built help future pandemics other global as antimicrobial resistance.

Language: Английский

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