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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Srimai Vuppala

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Aug 2026

Structural and energetic insights into SARS ‐ CoV ‐2 nucleocapsid protein inhibitors from molecular dynamics and MM ‐ PBSA analyses

The SARS‐CoV‐2 nucleocapsid (N) protein is a key regulator of viral genome packaging and replication, making it an attractive antiviral target. Here, we provide structural and energetic insights into N‐protein inhibition using molecular docking, pharmacophore screening, molecular dynamics (MD) simulations, and MM‐PBS...

Srimai Vuppala, Jaeyoung Kim, Mengdi Zhao et al. · 0 citations

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